USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 TYR OH : rot -113:sc= 1.05 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 0.257 USER MOD Set 2.1: A 18 MET CE :methyl -178:sc= -1.09 (180deg=-1.13) USER MOD Set 2.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 29 GLN : amide:sc= -0.198 X(o=-0.7,f=-0.22) USER MOD Set 3.2: A 38 HIS : no HD1:sc= -0.506 X(o=-0.7,f=-0.22) USER MOD Single : A 14 THR OG1 : rot 70:sc= -0.0868 USER MOD Single : A 15 SER OG : rot -47:sc= 0.0193 USER MOD Single : A 17 THR OG1 : rot -104:sc= 0.0552 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 147:sc= 0.92 (180deg=0.209) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0523 X(o=-0.052,f=0.035) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= -0.0155 (180deg=-0.279) USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= 1.15 (180deg=0.797) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0686) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0235 K(o=-0.023,f=-0.59) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0301) USER MOD Single : A 88 LYS NZ :NH3+ -170:sc= 0.125 (180deg=0.0968) USER MOD Single : A 89 LYS NZ :NH3+ -120:sc= 1.29 (180deg=-0.038) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -69:sc= 0.194 USER MOD Single : A 99 THR OG1 : rot -100:sc= 0.91 USER MOD Single : A 114 ASN : amide:sc= -0.462 X(o=-0.46,f=0.027) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 14 9.291 -7.953 -1.986 1.00 0.00 N ATOM 181 CA THR A 14 8.135 -8.536 -1.316 1.00 0.00 C ATOM 182 C THR A 14 7.465 -9.665 -2.106 1.00 0.00 C ATOM 183 O THR A 14 7.072 -10.685 -1.532 1.00 0.00 O ATOM 184 CB THR A 14 7.143 -7.417 -0.970 1.00 0.00 C ATOM 185 OG1 THR A 14 6.091 -8.035 -0.265 1.00 0.00 O ATOM 186 CG2 THR A 14 6.610 -6.597 -2.159 1.00 0.00 C ATOM 0 HA THR A 14 8.489 -9.014 -0.402 1.00 0.00 H new ATOM 0 HB THR A 14 7.671 -6.666 -0.382 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.411 -8.319 0.617 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.919 -5.837 -1.796 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.443 -6.115 -2.671 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.091 -7.258 -2.853 1.00 0.00 H new ATOM 194 N SER A 15 7.353 -9.484 -3.414 1.00 0.00 N ATOM 195 CA SER A 15 6.748 -10.377 -4.389 1.00 0.00 C ATOM 196 C SER A 15 5.258 -10.539 -4.064 1.00 0.00 C ATOM 197 O SER A 15 4.756 -11.646 -3.872 1.00 0.00 O ATOM 198 CB SER A 15 7.582 -11.669 -4.464 1.00 0.00 C ATOM 199 OG SER A 15 7.151 -12.610 -5.431 1.00 0.00 O ATOM 0 H SER A 15 7.713 -8.638 -3.856 1.00 0.00 H new ATOM 0 HA SER A 15 6.765 -9.975 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.617 -11.402 -4.676 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.570 -12.147 -3.485 1.00 0.00 H new ATOM 0 HG SER A 15 6.180 -12.726 -5.364 1.00 0.00 H new ATOM 205 N GLU A 16 4.550 -9.418 -3.914 1.00 0.00 N ATOM 206 CA GLU A 16 3.120 -9.351 -3.625 1.00 0.00 C ATOM 207 C GLU A 16 2.578 -8.087 -4.312 1.00 0.00 C ATOM 208 O GLU A 16 3.339 -7.375 -4.971 1.00 0.00 O ATOM 209 CB GLU A 16 2.860 -9.447 -2.101 1.00 0.00 C ATOM 210 CG GLU A 16 2.856 -8.155 -1.279 1.00 0.00 C ATOM 211 CD GLU A 16 2.829 -8.447 0.235 1.00 0.00 C ATOM 212 OE1 GLU A 16 2.006 -9.263 0.724 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.614 -7.827 0.992 1.00 0.00 O ATOM 0 H GLU A 16 4.977 -8.495 -3.994 1.00 0.00 H new ATOM 0 HA GLU A 16 2.573 -10.203 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.895 -9.933 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.616 -10.108 -1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.741 -7.566 -1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.989 -7.553 -1.550 1.00 0.00 H new ATOM 220 N THR A 17 1.278 -7.813 -4.222 1.00 0.00 N ATOM 221 CA THR A 17 0.664 -6.633 -4.826 1.00 0.00 C ATOM 222 C THR A 17 -0.194 -5.941 -3.774 1.00 0.00 C ATOM 223 O THR A 17 -0.341 -6.433 -2.646 1.00 0.00 O ATOM 224 CB THR A 17 -0.111 -7.006 -6.101 1.00 0.00 C ATOM 225 OG1 THR A 17 -0.455 -5.850 -6.839 1.00 0.00 O ATOM 226 CG2 THR A 17 -1.392 -7.785 -5.773 1.00 0.00 C ATOM 0 H THR A 17 0.616 -8.408 -3.724 1.00 0.00 H new ATOM 0 HA THR A 17 1.429 -5.928 -5.151 1.00 0.00 H new ATOM 0 HB THR A 17 0.546 -7.639 -6.697 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.408 -5.656 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.914 -8.032 -6.697 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.134 -8.703 -5.245 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.038 -7.174 -5.143 1.00 0.00 H new ATOM 234 N MET A 18 -0.756 -4.790 -4.142 1.00 0.00 N ATOM 235 CA MET A 18 -1.583 -4.011 -3.249 1.00 0.00 C ATOM 236 C MET A 18 -2.766 -4.841 -2.733 1.00 0.00 C ATOM 237 O MET A 18 -3.037 -4.847 -1.536 1.00 0.00 O ATOM 238 CB MET A 18 -2.117 -2.757 -3.951 1.00 0.00 C ATOM 239 CG MET A 18 -1.104 -1.613 -4.013 1.00 0.00 C ATOM 240 SD MET A 18 -0.818 -0.627 -2.506 1.00 0.00 S ATOM 241 CE MET A 18 -1.884 -1.332 -1.213 1.00 0.00 C ATOM 0 H MET A 18 -0.645 -4.380 -5.069 1.00 0.00 H new ATOM 0 HA MET A 18 -0.960 -3.712 -2.406 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.419 -3.019 -4.965 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.011 -2.412 -3.431 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.147 -2.033 -4.322 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.422 -0.930 -4.801 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.776 -0.752 -0.296 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.923 -1.301 -1.541 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.593 -2.366 -1.025 1.00 0.00 H new ATOM 251 N GLU A 19 -3.444 -5.585 -3.612 1.00 0.00 N ATOM 252 CA GLU A 19 -4.597 -6.415 -3.269 1.00 0.00 C ATOM 253 C GLU A 19 -4.250 -7.400 -2.155 1.00 0.00 C ATOM 254 O GLU A 19 -5.026 -7.552 -1.215 1.00 0.00 O ATOM 255 CB GLU A 19 -5.139 -7.195 -4.478 1.00 0.00 C ATOM 256 CG GLU A 19 -5.627 -6.310 -5.631 1.00 0.00 C ATOM 257 CD GLU A 19 -4.522 -6.025 -6.650 1.00 0.00 C ATOM 258 OE1 GLU A 19 -3.628 -5.204 -6.357 1.00 0.00 O ATOM 259 OE2 GLU A 19 -4.520 -6.700 -7.709 1.00 0.00 O ATOM 0 H GLU A 19 -3.200 -5.626 -4.601 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.374 -5.731 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.357 -7.857 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.962 -7.828 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.463 -6.798 -6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.001 -5.368 -5.230 1.00 0.00 H new ATOM 266 N SER A 20 -3.099 -8.073 -2.249 1.00 0.00 N ATOM 267 CA SER A 20 -2.623 -9.042 -1.266 1.00 0.00 C ATOM 268 C SER A 20 -2.479 -8.400 0.109 1.00 0.00 C ATOM 269 O SER A 20 -2.550 -9.098 1.120 1.00 0.00 O ATOM 270 CB SER A 20 -1.295 -9.661 -1.725 1.00 0.00 C ATOM 271 OG SER A 20 -1.378 -10.169 -3.051 1.00 0.00 O ATOM 0 H SER A 20 -2.458 -7.953 -3.033 1.00 0.00 H new ATOM 0 HA SER A 20 -3.363 -9.838 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.507 -8.910 -1.672 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.015 -10.465 -1.045 1.00 0.00 H new ATOM 0 HG SER A 20 -0.514 -10.553 -3.309 1.00 0.00 H new ATOM 277 N LEU A 21 -2.164 -7.108 0.155 1.00 0.00 N ATOM 278 CA LEU A 21 -2.016 -6.393 1.407 1.00 0.00 C ATOM 279 C LEU A 21 -3.397 -6.209 2.007 1.00 0.00 C ATOM 280 O LEU A 21 -3.664 -6.621 3.135 1.00 0.00 O ATOM 281 CB LEU A 21 -1.404 -4.993 1.208 1.00 0.00 C ATOM 282 CG LEU A 21 -0.038 -4.900 0.526 1.00 0.00 C ATOM 283 CD1 LEU A 21 0.586 -3.560 0.910 1.00 0.00 C ATOM 284 CD2 LEU A 21 0.895 -6.040 0.903 1.00 0.00 C ATOM 0 H LEU A 21 -2.006 -6.535 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.353 -6.971 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.109 -4.399 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.322 -4.522 2.187 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.185 -4.976 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.564 -3.465 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.060 -2.748 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.700 -3.509 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.847 -5.917 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.063 -6.032 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.445 -6.989 0.613 1.00 0.00 H new ATOM 296 N ILE A 22 -4.300 -5.633 1.222 1.00 0.00 N ATOM 297 CA ILE A 22 -5.653 -5.352 1.645 1.00 0.00 C ATOM 298 C ILE A 22 -6.355 -6.613 2.139 1.00 0.00 C ATOM 299 O ILE A 22 -6.945 -6.589 3.215 1.00 0.00 O ATOM 300 CB ILE A 22 -6.430 -4.703 0.481 1.00 0.00 C ATOM 301 CG1 ILE A 22 -5.806 -3.374 0.009 1.00 0.00 C ATOM 302 CG2 ILE A 22 -7.855 -4.456 0.972 1.00 0.00 C ATOM 303 CD1 ILE A 22 -6.411 -2.871 -1.306 1.00 0.00 C ATOM 0 H ILE A 22 -4.103 -5.347 0.263 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.621 -4.656 2.483 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.402 -5.375 -0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.945 -2.617 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.731 -3.506 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.440 -3.996 0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.311 -5.404 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.832 -3.791 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.934 -1.933 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.248 -3.612 -2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.481 -2.709 -1.176 1.00 0.00 H new ATOM 315 N ASP A 23 -6.264 -7.702 1.381 1.00 0.00 N ATOM 316 CA ASP A 23 -6.922 -8.966 1.705 1.00 0.00 C ATOM 317 C ASP A 23 -6.480 -9.598 3.024 1.00 0.00 C ATOM 318 O ASP A 23 -7.161 -10.500 3.518 1.00 0.00 O ATOM 319 CB ASP A 23 -6.789 -9.944 0.537 1.00 0.00 C ATOM 320 CG ASP A 23 -8.136 -10.489 0.034 1.00 0.00 C ATOM 321 OD1 ASP A 23 -9.174 -10.448 0.732 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.125 -10.987 -1.120 1.00 0.00 O ATOM 0 H ASP A 23 -5.726 -7.733 0.515 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.974 -8.726 1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.278 -9.446 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.160 -10.780 0.844 1.00 0.00 H new ATOM 327 N LYS A 24 -5.343 -9.167 3.586 1.00 0.00 N ATOM 328 CA LYS A 24 -4.863 -9.659 4.880 1.00 0.00 C ATOM 329 C LYS A 24 -5.046 -8.576 5.950 1.00 0.00 C ATOM 330 O LYS A 24 -4.961 -8.877 7.142 1.00 0.00 O ATOM 331 CB LYS A 24 -3.382 -10.080 4.755 1.00 0.00 C ATOM 332 CG LYS A 24 -2.332 -9.045 5.224 1.00 0.00 C ATOM 333 CD LYS A 24 -1.971 -9.090 6.730 1.00 0.00 C ATOM 334 CE LYS A 24 -2.234 -7.759 7.471 1.00 0.00 C ATOM 335 NZ LYS A 24 -1.366 -7.541 8.640 1.00 0.00 N ATOM 0 H LYS A 24 -4.734 -8.470 3.157 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.443 -10.531 5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.238 -10.997 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.182 -10.321 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.420 -9.193 4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.701 -8.047 4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.546 -9.882 7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.918 -9.352 6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.099 -6.933 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.275 -7.735 7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.602 -6.630 9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.511 -8.308 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.371 -7.531 8.337 1.00 0.00 H new ATOM 349 N GLY A 25 -5.322 -7.333 5.550 1.00 0.00 N ATOM 350 CA GLY A 25 -5.501 -6.189 6.426 1.00 0.00 C ATOM 351 C GLY A 25 -4.199 -5.402 6.596 1.00 0.00 C ATOM 352 O GLY A 25 -3.882 -4.976 7.706 1.00 0.00 O ATOM 0 H GLY A 25 -5.430 -7.093 4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.272 -5.535 6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.852 -6.527 7.401 1.00 0.00 H new ATOM 356 N LYS A 26 -3.381 -5.251 5.546 1.00 0.00 N ATOM 357 CA LYS A 26 -2.112 -4.504 5.598 1.00 0.00 C ATOM 358 C LYS A 26 -2.400 -3.069 5.131 1.00 0.00 C ATOM 359 O LYS A 26 -1.903 -2.645 4.093 1.00 0.00 O ATOM 360 CB LYS A 26 -0.989 -5.195 4.772 1.00 0.00 C ATOM 361 CG LYS A 26 -0.059 -6.159 5.522 1.00 0.00 C ATOM 362 CD LYS A 26 1.335 -6.394 4.893 1.00 0.00 C ATOM 363 CE LYS A 26 1.466 -7.783 4.258 1.00 0.00 C ATOM 364 NZ LYS A 26 2.792 -8.042 3.641 1.00 0.00 N ATOM 0 H LYS A 26 -3.581 -5.646 4.627 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.729 -4.484 6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.459 -5.745 3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.375 -4.417 4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.082 -5.781 6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.562 -7.122 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.521 -5.633 4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.101 -6.275 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.277 -8.539 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.694 -7.898 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.030 -9.050 3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.760 -7.791 2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.515 -7.467 4.118 1.00 0.00 H new ATOM 378 N LEU A 27 -3.231 -2.314 5.854 1.00 0.00 N ATOM 379 CA LEU A 27 -3.562 -0.924 5.487 1.00 0.00 C ATOM 380 C LEU A 27 -2.487 0.048 5.988 1.00 0.00 C ATOM 381 O LEU A 27 -2.575 1.263 5.800 1.00 0.00 O ATOM 382 CB LEU A 27 -4.925 -0.474 6.048 1.00 0.00 C ATOM 383 CG LEU A 27 -6.196 -1.218 5.603 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.217 -1.498 4.095 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.379 -2.518 6.385 1.00 0.00 C ATOM 0 H LEU A 27 -3.692 -2.640 6.703 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.609 -0.905 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.871 -0.536 7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.054 0.578 5.795 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.032 -0.554 5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.135 -2.025 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.172 -0.555 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.358 -2.113 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.285 -3.021 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.520 -3.168 6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.462 -2.294 7.449 1.00 0.00 H new ATOM 397 N ASP A 28 -1.471 -0.470 6.676 1.00 0.00 N ATOM 398 CA ASP A 28 -0.374 0.313 7.229 1.00 0.00 C ATOM 399 C ASP A 28 0.791 0.358 6.257 1.00 0.00 C ATOM 400 O ASP A 28 1.802 0.973 6.556 1.00 0.00 O ATOM 401 CB ASP A 28 0.082 -0.252 8.582 1.00 0.00 C ATOM 402 CG ASP A 28 -0.979 -0.122 9.668 1.00 0.00 C ATOM 403 OD1 ASP A 28 -1.614 0.949 9.795 1.00 0.00 O ATOM 404 OD2 ASP A 28 -1.240 -1.133 10.360 1.00 0.00 O ATOM 0 H ASP A 28 -1.388 -1.469 6.867 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.735 1.329 7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.344 -1.303 8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.986 0.267 8.901 1.00 0.00 H new ATOM 409 N GLN A 29 0.694 -0.274 5.092 1.00 0.00 N ATOM 410 CA GLN A 29 1.740 -0.323 4.088 1.00 0.00 C ATOM 411 C GLN A 29 1.123 -0.410 2.696 1.00 0.00 C ATOM 412 O GLN A 29 -0.077 -0.656 2.554 1.00 0.00 O ATOM 413 CB GLN A 29 2.656 -1.528 4.372 1.00 0.00 C ATOM 414 CG GLN A 29 1.876 -2.808 4.690 1.00 0.00 C ATOM 415 CD GLN A 29 2.067 -3.297 6.119 1.00 0.00 C ATOM 416 OE1 GLN A 29 1.118 -3.387 6.899 1.00 0.00 O ATOM 417 NE2 GLN A 29 3.291 -3.640 6.463 1.00 0.00 N ATOM 0 H GLN A 29 -0.146 -0.782 4.816 1.00 0.00 H new ATOM 0 HA GLN A 29 2.339 0.587 4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.295 -1.704 3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.311 -1.290 5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.815 -2.631 4.514 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.186 -3.594 4.001 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.053 -3.552 5.791 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.477 -3.994 7.402 1.00 0.00 H new ATOM 426 N VAL A 30 1.958 -0.234 1.673 1.00 0.00 N ATOM 427 CA VAL A 30 1.555 -0.276 0.265 1.00 0.00 C ATOM 428 C VAL A 30 2.647 -0.896 -0.619 1.00 0.00 C ATOM 429 O VAL A 30 3.789 -1.009 -0.154 1.00 0.00 O ATOM 430 CB VAL A 30 1.227 1.152 -0.203 1.00 0.00 C ATOM 431 CG1 VAL A 30 0.057 1.777 0.564 1.00 0.00 C ATOM 432 CG2 VAL A 30 2.442 2.082 -0.131 1.00 0.00 C ATOM 0 H VAL A 30 2.954 -0.055 1.801 1.00 0.00 H new ATOM 0 HA VAL A 30 0.672 -0.908 0.172 1.00 0.00 H new ATOM 0 HB VAL A 30 0.930 1.046 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.127 2.784 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.836 1.169 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.301 1.824 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.159 3.078 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.797 2.138 0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.236 1.693 -0.768 1.00 0.00 H new ATOM 442 N VAL A 31 2.316 -1.270 -1.869 1.00 0.00 N ATOM 443 CA VAL A 31 3.246 -1.840 -2.833 1.00 0.00 C ATOM 444 C VAL A 31 3.286 -0.954 -4.070 1.00 0.00 C ATOM 445 O VAL A 31 2.232 -0.599 -4.606 1.00 0.00 O ATOM 446 CB VAL A 31 2.916 -3.267 -3.302 1.00 0.00 C ATOM 447 CG1 VAL A 31 4.120 -4.030 -3.795 1.00 0.00 C ATOM 448 CG2 VAL A 31 2.289 -4.161 -2.236 1.00 0.00 C ATOM 0 H VAL A 31 1.369 -1.178 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 31 4.200 -1.893 -2.308 1.00 0.00 H new ATOM 0 HB VAL A 31 2.203 -3.073 -4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.815 -5.028 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.564 -3.503 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.853 -4.111 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.091 -5.146 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.974 -4.258 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.353 -3.718 -1.894 1.00 0.00 H new ATOM 458 N TYR A 32 4.473 -0.572 -4.516 1.00 0.00 N ATOM 459 CA TYR A 32 4.683 0.255 -5.696 1.00 0.00 C ATOM 460 C TYR A 32 5.994 -0.185 -6.300 1.00 0.00 C ATOM 461 O TYR A 32 6.967 -0.365 -5.572 1.00 0.00 O ATOM 462 CB TYR A 32 4.766 1.742 -5.329 1.00 0.00 C ATOM 463 CG TYR A 32 5.479 2.626 -6.343 1.00 0.00 C ATOM 464 CD1 TYR A 32 5.000 2.758 -7.659 1.00 0.00 C ATOM 465 CD2 TYR A 32 6.642 3.319 -5.967 1.00 0.00 C ATOM 466 CE1 TYR A 32 5.644 3.626 -8.559 1.00 0.00 C ATOM 467 CE2 TYR A 32 7.298 4.180 -6.856 1.00 0.00 C ATOM 468 CZ TYR A 32 6.802 4.336 -8.166 1.00 0.00 C ATOM 469 OH TYR A 32 7.429 5.168 -9.039 1.00 0.00 O ATOM 0 H TYR A 32 5.343 -0.836 -4.054 1.00 0.00 H new ATOM 0 HA TYR A 32 3.851 0.138 -6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.754 2.121 -5.190 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.276 1.834 -4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.137 2.192 -7.979 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.039 3.185 -4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.251 3.751 -9.557 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.178 4.721 -6.540 1.00 0.00 H new ATOM 0 HH TYR A 32 8.206 5.575 -8.602 1.00 0.00 H new ATOM 479 N ASP A 33 6.005 -0.341 -7.623 1.00 0.00 N ATOM 480 CA ASP A 33 7.183 -0.731 -8.388 1.00 0.00 C ATOM 481 C ASP A 33 7.826 -2.007 -7.841 1.00 0.00 C ATOM 482 O ASP A 33 9.048 -2.132 -7.869 1.00 0.00 O ATOM 483 CB ASP A 33 8.149 0.464 -8.412 1.00 0.00 C ATOM 484 CG ASP A 33 9.194 0.410 -9.528 1.00 0.00 C ATOM 485 OD1 ASP A 33 8.790 0.319 -10.710 1.00 0.00 O ATOM 486 OD2 ASP A 33 10.395 0.644 -9.244 1.00 0.00 O ATOM 0 H ASP A 33 5.178 -0.196 -8.202 1.00 0.00 H new ATOM 0 HA ASP A 33 6.899 -0.980 -9.410 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.570 1.381 -8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.663 0.520 -7.452 1.00 0.00 H new ATOM 491 N ASP A 34 6.994 -2.936 -7.338 1.00 0.00 N ATOM 492 CA ASP A 34 7.404 -4.227 -6.761 1.00 0.00 C ATOM 493 C ASP A 34 8.132 -4.038 -5.428 1.00 0.00 C ATOM 494 O ASP A 34 9.034 -4.796 -5.077 1.00 0.00 O ATOM 495 CB ASP A 34 8.281 -4.980 -7.781 1.00 0.00 C ATOM 496 CG ASP A 34 7.994 -6.468 -7.869 1.00 0.00 C ATOM 497 OD1 ASP A 34 6.808 -6.795 -8.107 1.00 0.00 O ATOM 498 OD2 ASP A 34 8.937 -7.271 -8.044 1.00 0.00 O ATOM 0 H ASP A 34 5.983 -2.803 -7.322 1.00 0.00 H new ATOM 0 HA ASP A 34 6.515 -4.821 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.137 -4.535 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.329 -4.838 -7.517 1.00 0.00 H new ATOM 503 N GLN A 35 7.792 -2.985 -4.678 1.00 0.00 N ATOM 504 CA GLN A 35 8.450 -2.692 -3.411 1.00 0.00 C ATOM 505 C GLN A 35 7.418 -2.521 -2.333 1.00 0.00 C ATOM 506 O GLN A 35 6.287 -2.184 -2.646 1.00 0.00 O ATOM 507 CB GLN A 35 9.339 -1.448 -3.477 1.00 0.00 C ATOM 508 CG GLN A 35 10.303 -1.341 -4.663 1.00 0.00 C ATOM 509 CD GLN A 35 11.153 -2.567 -5.016 1.00 0.00 C ATOM 510 OE1 GLN A 35 11.480 -2.797 -6.177 1.00 0.00 O ATOM 511 NE2 GLN A 35 11.609 -3.338 -4.046 1.00 0.00 N ATOM 0 H GLN A 35 7.061 -2.321 -4.932 1.00 0.00 H new ATOM 0 HA GLN A 35 9.100 -3.537 -3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.693 -0.570 -3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.925 -1.402 -2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.719 -1.075 -5.544 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.981 -0.510 -4.468 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.342 -3.153 -3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.229 -4.119 -4.263 1.00 0.00 H new ATOM 520 N LEU A 36 7.812 -2.704 -1.075 1.00 0.00 N ATOM 521 CA LEU A 36 6.911 -2.612 0.070 1.00 0.00 C ATOM 522 C LEU A 36 7.353 -1.504 1.017 1.00 0.00 C ATOM 523 O LEU A 36 8.477 -1.541 1.532 1.00 0.00 O ATOM 524 CB LEU A 36 6.896 -3.988 0.749 1.00 0.00 C ATOM 525 CG LEU A 36 5.708 -4.264 1.683 1.00 0.00 C ATOM 526 CD1 LEU A 36 4.368 -4.344 0.958 1.00 0.00 C ATOM 527 CD2 LEU A 36 5.955 -5.615 2.346 1.00 0.00 C ATOM 0 H LEU A 36 8.775 -2.922 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 36 5.901 -2.351 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.909 -4.754 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.817 -4.099 1.322 1.00 0.00 H new ATOM 0 HG LEU A 36 5.646 -3.437 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.575 -4.541 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.171 -3.399 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.399 -5.149 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.129 -5.846 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.027 -6.388 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.885 -5.578 2.913 1.00 0.00 H new ATOM 539 N TYR A 37 6.472 -0.532 1.254 1.00 0.00 N ATOM 540 CA TYR A 37 6.749 0.603 2.131 1.00 0.00 C ATOM 541 C TYR A 37 5.773 0.624 3.309 1.00 0.00 C ATOM 542 O TYR A 37 4.571 0.449 3.091 1.00 0.00 O ATOM 543 CB TYR A 37 6.597 1.925 1.366 1.00 0.00 C ATOM 544 CG TYR A 37 7.195 2.009 -0.022 1.00 0.00 C ATOM 545 CD1 TYR A 37 8.467 1.477 -0.285 1.00 0.00 C ATOM 546 CD2 TYR A 37 6.513 2.718 -1.024 1.00 0.00 C ATOM 547 CE1 TYR A 37 9.090 1.695 -1.520 1.00 0.00 C ATOM 548 CE2 TYR A 37 7.126 2.926 -2.273 1.00 0.00 C ATOM 549 CZ TYR A 37 8.437 2.445 -2.515 1.00 0.00 C ATOM 550 OH TYR A 37 9.113 2.770 -3.652 1.00 0.00 O ATOM 0 H TYR A 37 5.540 -0.511 0.840 1.00 0.00 H new ATOM 0 HA TYR A 37 7.771 0.495 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.533 2.145 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.042 2.715 1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.970 0.894 0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.521 3.102 -0.836 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.072 1.287 -1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.595 3.455 -3.051 1.00 0.00 H new ATOM 0 HH TYR A 37 9.777 2.076 -3.848 1.00 0.00 H new ATOM 560 N HIS A 38 6.258 0.839 4.536 1.00 0.00 N ATOM 561 CA HIS A 38 5.446 0.906 5.751 1.00 0.00 C ATOM 562 C HIS A 38 5.152 2.374 6.002 1.00 0.00 C ATOM 563 O HIS A 38 6.075 3.192 5.986 1.00 0.00 O ATOM 564 CB HIS A 38 6.181 0.346 6.982 1.00 0.00 C ATOM 565 CG HIS A 38 5.465 -0.659 7.854 1.00 0.00 C ATOM 566 ND1 HIS A 38 6.109 -1.468 8.763 1.00 0.00 N ATOM 567 CD2 HIS A 38 4.124 -0.960 7.913 1.00 0.00 C ATOM 568 CE1 HIS A 38 5.187 -2.226 9.365 1.00 0.00 C ATOM 569 NE2 HIS A 38 3.959 -1.965 8.880 1.00 0.00 N ATOM 0 H HIS A 38 7.253 0.975 4.714 1.00 0.00 H new ATOM 0 HA HIS A 38 4.546 0.308 5.607 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.105 -0.116 6.635 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.463 1.190 7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.341 -0.506 7.323 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.399 -2.951 10.137 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.084 -2.408 9.159 1.00 0.00 H new ATOM 577 N LEU A 39 3.879 2.719 6.143 1.00 0.00 N ATOM 578 CA LEU A 39 3.449 4.088 6.419 1.00 0.00 C ATOM 579 C LEU A 39 3.846 4.418 7.862 1.00 0.00 C ATOM 580 O LEU A 39 3.762 3.547 8.732 1.00 0.00 O ATOM 581 CB LEU A 39 1.937 4.234 6.219 1.00 0.00 C ATOM 582 CG LEU A 39 1.427 3.751 4.850 1.00 0.00 C ATOM 583 CD1 LEU A 39 -0.069 4.046 4.752 1.00 0.00 C ATOM 584 CD2 LEU A 39 2.139 4.416 3.667 1.00 0.00 C ATOM 0 H LEU A 39 3.109 2.054 6.069 1.00 0.00 H new ATOM 0 HA LEU A 39 3.930 4.782 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.424 3.676 7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.666 5.282 6.345 1.00 0.00 H new ATOM 0 HG LEU A 39 1.635 2.683 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.444 3.708 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.596 3.522 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.236 5.119 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.731 4.030 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.988 5.495 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.206 4.197 3.715 1.00 0.00 H new ATOM 596 N LYS A 40 4.238 5.671 8.120 1.00 0.00 N ATOM 597 CA LYS A 40 4.678 6.130 9.436 1.00 0.00 C ATOM 598 C LYS A 40 3.834 7.257 10.013 1.00 0.00 C ATOM 599 O LYS A 40 3.341 7.141 11.130 1.00 0.00 O ATOM 600 CB LYS A 40 6.149 6.588 9.378 1.00 0.00 C ATOM 601 CG LYS A 40 7.128 5.659 8.660 1.00 0.00 C ATOM 602 CD LYS A 40 7.175 4.180 9.075 1.00 0.00 C ATOM 603 CE LYS A 40 7.648 3.885 10.502 1.00 0.00 C ATOM 604 NZ LYS A 40 6.624 4.115 11.556 1.00 0.00 N ATOM 0 H LYS A 40 4.258 6.402 7.409 1.00 0.00 H new ATOM 0 HA LYS A 40 4.561 5.272 10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.183 7.562 8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.502 6.731 10.399 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.900 5.697 7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.129 6.071 8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.177 3.760 8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.830 3.652 8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.977 2.847 10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.518 4.506 10.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.868 3.564 12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.595 5.126 11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.692 3.816 11.205 1.00 0.00 H new ATOM 618 N GLU A 41 3.744 8.376 9.304 1.00 0.00 N ATOM 619 CA GLU A 41 2.993 9.555 9.755 1.00 0.00 C ATOM 620 C GLU A 41 2.343 10.280 8.582 1.00 0.00 C ATOM 621 O GLU A 41 2.545 9.889 7.432 1.00 0.00 O ATOM 622 CB GLU A 41 3.954 10.494 10.500 1.00 0.00 C ATOM 623 CG GLU A 41 5.007 11.111 9.563 1.00 0.00 C ATOM 624 CD GLU A 41 6.277 11.546 10.286 1.00 0.00 C ATOM 625 OE1 GLU A 41 7.105 10.658 10.592 1.00 0.00 O ATOM 626 OE2 GLU A 41 6.487 12.774 10.436 1.00 0.00 O ATOM 0 H GLU A 41 4.190 8.498 8.395 1.00 0.00 H new ATOM 0 HA GLU A 41 2.192 9.235 10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.384 11.291 10.977 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.456 9.942 11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.267 10.386 8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.572 11.973 9.057 1.00 0.00 H new ATOM 633 N LYS A 42 1.549 11.315 8.866 1.00 0.00 N ATOM 634 CA LYS A 42 0.868 12.134 7.870 1.00 0.00 C ATOM 635 C LYS A 42 1.738 13.380 7.679 1.00 0.00 C ATOM 636 O LYS A 42 2.318 13.874 8.645 1.00 0.00 O ATOM 637 CB LYS A 42 -0.567 12.451 8.354 1.00 0.00 C ATOM 638 CG LYS A 42 -1.593 12.590 7.212 1.00 0.00 C ATOM 639 CD LYS A 42 -1.524 13.898 6.434 1.00 0.00 C ATOM 640 CE LYS A 42 -2.157 15.100 7.129 1.00 0.00 C ATOM 641 NZ LYS A 42 -2.077 16.313 6.284 1.00 0.00 N ATOM 0 H LYS A 42 1.359 11.612 9.823 1.00 0.00 H new ATOM 0 HA LYS A 42 0.750 11.631 6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.895 11.661 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.550 13.377 8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.452 11.764 6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.594 12.487 7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.478 14.126 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.014 13.756 5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.200 14.882 7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.653 15.281 8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.698 17.050 6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.097 16.660 6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.380 16.082 5.316 1.00 0.00 H new ATOM 655 N VAL A 43 1.871 13.863 6.450 1.00 0.00 N ATOM 656 CA VAL A 43 2.651 15.043 6.096 1.00 0.00 C ATOM 657 C VAL A 43 1.808 16.016 5.257 1.00 0.00 C ATOM 658 O VAL A 43 0.624 15.782 5.000 1.00 0.00 O ATOM 659 CB VAL A 43 3.974 14.621 5.432 1.00 0.00 C ATOM 660 CG1 VAL A 43 4.854 13.801 6.387 1.00 0.00 C ATOM 661 CG2 VAL A 43 3.761 13.840 4.134 1.00 0.00 C ATOM 0 H VAL A 43 1.423 13.428 5.643 1.00 0.00 H new ATOM 0 HA VAL A 43 2.925 15.594 6.995 1.00 0.00 H new ATOM 0 HB VAL A 43 4.488 15.550 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.778 13.522 5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.088 14.398 7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.321 12.900 6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.728 13.569 3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.190 12.936 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.214 14.459 3.423 1.00 0.00 H new ATOM 671 N ASP A 44 2.389 17.146 4.870 1.00 0.00 N ATOM 672 CA ASP A 44 1.731 18.171 4.067 1.00 0.00 C ATOM 673 C ASP A 44 2.159 18.075 2.602 1.00 0.00 C ATOM 674 O ASP A 44 3.135 17.395 2.267 1.00 0.00 O ATOM 675 CB ASP A 44 2.084 19.561 4.619 1.00 0.00 C ATOM 676 CG ASP A 44 0.831 20.409 4.773 1.00 0.00 C ATOM 677 OD1 ASP A 44 0.127 20.643 3.766 1.00 0.00 O ATOM 678 OD2 ASP A 44 0.539 20.782 5.930 1.00 0.00 O ATOM 0 H ASP A 44 3.352 17.380 5.111 1.00 0.00 H new ATOM 0 HA ASP A 44 0.654 18.015 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.582 19.460 5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.786 20.057 3.948 1.00 0.00 H new ATOM 683 N GLU A 45 1.428 18.744 1.709 1.00 0.00 N ATOM 684 CA GLU A 45 1.757 18.757 0.280 1.00 0.00 C ATOM 685 C GLU A 45 3.001 19.609 0.034 1.00 0.00 C ATOM 686 O GLU A 45 3.573 19.579 -1.050 1.00 0.00 O ATOM 687 CB GLU A 45 0.586 19.221 -0.609 1.00 0.00 C ATOM 688 CG GLU A 45 0.180 20.705 -0.482 1.00 0.00 C ATOM 689 CD GLU A 45 -0.392 21.247 -1.799 1.00 0.00 C ATOM 690 OE1 GLU A 45 -1.583 21.003 -2.106 1.00 0.00 O ATOM 691 OE2 GLU A 45 0.350 21.876 -2.588 1.00 0.00 O ATOM 0 H GLU A 45 0.599 19.287 1.951 1.00 0.00 H new ATOM 0 HA GLU A 45 1.963 17.726 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.847 19.025 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.284 18.607 -0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.561 20.814 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.048 21.297 -0.190 1.00 0.00 H new ATOM 698 N ASP A 46 3.417 20.359 1.050 1.00 0.00 N ATOM 699 CA ASP A 46 4.558 21.252 1.038 1.00 0.00 C ATOM 700 C ASP A 46 5.837 20.495 1.409 1.00 0.00 C ATOM 701 O ASP A 46 6.926 21.062 1.384 1.00 0.00 O ATOM 702 CB ASP A 46 4.253 22.373 2.052 1.00 0.00 C ATOM 703 CG ASP A 46 4.784 23.751 1.661 1.00 0.00 C ATOM 704 OD1 ASP A 46 5.431 23.915 0.603 1.00 0.00 O ATOM 705 OD2 ASP A 46 4.502 24.700 2.425 1.00 0.00 O ATOM 0 H ASP A 46 2.937 20.356 1.950 1.00 0.00 H new ATOM 0 HA ASP A 46 4.722 21.671 0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.173 22.439 2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.677 22.096 3.017 1.00 0.00 H new ATOM 710 N LYS A 47 5.718 19.209 1.781 1.00 0.00 N ATOM 711 CA LYS A 47 6.850 18.371 2.181 1.00 0.00 C ATOM 712 C LYS A 47 7.337 17.478 1.054 1.00 0.00 C ATOM 713 O LYS A 47 8.479 17.023 1.087 1.00 0.00 O ATOM 714 CB LYS A 47 6.447 17.453 3.351 1.00 0.00 C ATOM 715 CG LYS A 47 5.634 18.139 4.452 1.00 0.00 C ATOM 716 CD LYS A 47 6.271 19.423 4.972 1.00 0.00 C ATOM 717 CE LYS A 47 5.891 19.614 6.436 1.00 0.00 C ATOM 718 NZ LYS A 47 6.597 20.773 6.999 1.00 0.00 N ATOM 0 H LYS A 47 4.822 18.722 1.811 1.00 0.00 H new ATOM 0 HA LYS A 47 7.649 19.055 2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.867 16.618 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.350 17.033 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.639 18.366 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.505 17.445 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.355 19.373 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.934 20.275 4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.814 19.758 6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.140 18.717 7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.329 20.892 7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.624 20.620 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.339 21.629 6.467 1.00 0.00 H new ATOM 732 N LYS A 48 6.491 17.169 0.073 1.00 0.00 N ATOM 733 CA LYS A 48 6.924 16.313 -1.019 1.00 0.00 C ATOM 734 C LYS A 48 8.036 17.008 -1.803 1.00 0.00 C ATOM 735 O LYS A 48 7.953 18.210 -2.065 1.00 0.00 O ATOM 736 CB LYS A 48 5.727 15.956 -1.901 1.00 0.00 C ATOM 737 CG LYS A 48 5.231 17.148 -2.716 1.00 0.00 C ATOM 738 CD LYS A 48 3.927 16.866 -3.449 1.00 0.00 C ATOM 739 CE LYS A 48 3.301 18.158 -3.953 1.00 0.00 C ATOM 740 NZ LYS A 48 4.205 18.946 -4.813 1.00 0.00 N ATOM 0 H LYS A 48 5.525 17.492 0.015 1.00 0.00 H new ATOM 0 HA LYS A 48 7.330 15.380 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.005 15.147 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.916 15.584 -1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.091 18.002 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.995 17.429 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.114 16.195 -4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.232 16.356 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.395 17.922 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.001 18.766 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.676 19.730 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.984 19.328 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.592 18.336 -5.561 1.00 0.00 H new ATOM 754 N GLY A 49 9.024 16.236 -2.241 1.00 0.00 N ATOM 755 CA GLY A 49 10.132 16.764 -3.012 1.00 0.00 C ATOM 756 C GLY A 49 9.806 16.729 -4.504 1.00 0.00 C ATOM 757 O GLY A 49 10.054 17.701 -5.221 1.00 0.00 O ATOM 0 H GLY A 49 9.075 15.232 -2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.343 17.788 -2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.031 16.180 -2.816 1.00 0.00 H new ATOM 761 N LYS A 50 9.209 15.633 -4.998 1.00 0.00 N ATOM 762 CA LYS A 50 8.866 15.443 -6.413 1.00 0.00 C ATOM 763 C LYS A 50 8.034 14.183 -6.608 1.00 0.00 C ATOM 764 O LYS A 50 8.061 13.304 -5.750 1.00 0.00 O ATOM 765 CB LYS A 50 10.175 15.331 -7.232 1.00 0.00 C ATOM 766 CG LYS A 50 11.251 14.406 -6.617 1.00 0.00 C ATOM 767 CD LYS A 50 12.621 14.522 -7.295 1.00 0.00 C ATOM 768 CE LYS A 50 12.842 13.366 -8.265 1.00 0.00 C ATOM 769 NZ LYS A 50 14.144 13.477 -8.939 1.00 0.00 N ATOM 0 H LYS A 50 8.947 14.840 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 50 8.277 16.295 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.932 14.967 -8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.599 16.328 -7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.358 14.641 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.910 13.373 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.689 15.470 -7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.407 14.525 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.789 12.420 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.045 13.354 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.266 12.677 -9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.184 14.369 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.904 13.464 -8.230 1.00 0.00 H new ATOM 783 N VAL A 51 7.266 14.091 -7.694 1.00 0.00 N ATOM 784 CA VAL A 51 6.446 12.918 -8.014 1.00 0.00 C ATOM 785 C VAL A 51 7.366 11.900 -8.681 1.00 0.00 C ATOM 786 O VAL A 51 8.208 12.259 -9.516 1.00 0.00 O ATOM 787 CB VAL A 51 5.286 13.310 -8.950 1.00 0.00 C ATOM 788 CG1 VAL A 51 4.653 12.130 -9.706 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.162 13.991 -8.167 1.00 0.00 C ATOM 0 H VAL A 51 7.194 14.837 -8.386 1.00 0.00 H new ATOM 0 HA VAL A 51 6.000 12.496 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 51 5.743 13.979 -9.679 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.846 12.496 -10.341 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.409 11.646 -10.324 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.254 11.411 -8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.354 14.259 -8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.784 13.309 -7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.546 14.892 -7.688 1.00 0.00 H new ATOM 799 N ILE A 52 7.165 10.631 -8.331 1.00 0.00 N ATOM 800 CA ILE A 52 7.926 9.510 -8.869 1.00 0.00 C ATOM 801 C ILE A 52 6.979 8.489 -9.508 1.00 0.00 C ATOM 802 O ILE A 52 7.269 7.971 -10.585 1.00 0.00 O ATOM 803 CB ILE A 52 8.866 8.920 -7.788 1.00 0.00 C ATOM 804 CG1 ILE A 52 8.093 8.377 -6.559 1.00 0.00 C ATOM 805 CG2 ILE A 52 9.907 9.985 -7.381 1.00 0.00 C ATOM 806 CD1 ILE A 52 8.990 7.817 -5.448 1.00 0.00 C ATOM 0 H ILE A 52 6.456 10.350 -7.654 1.00 0.00 H new ATOM 0 HA ILE A 52 8.583 9.853 -9.669 1.00 0.00 H new ATOM 0 HB ILE A 52 9.381 8.060 -8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.480 9.179 -6.146 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.412 7.593 -6.890 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.570 9.573 -6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.492 10.275 -8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.395 10.860 -6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.370 7.458 -4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.584 6.992 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.654 8.602 -5.086 1.00 0.00 H new ATOM 818 N GLY A 53 5.783 8.289 -8.951 1.00 0.00 N ATOM 819 CA GLY A 53 4.805 7.339 -9.473 1.00 0.00 C ATOM 820 C GLY A 53 3.481 7.545 -8.758 1.00 0.00 C ATOM 821 O GLY A 53 3.374 8.462 -7.946 1.00 0.00 O ATOM 0 H GLY A 53 5.466 8.787 -8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.679 7.481 -10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.157 6.318 -9.326 1.00 0.00 H new ATOM 825 N ALA A 54 2.462 6.742 -9.064 1.00 0.00 N ATOM 826 CA ALA A 54 1.146 6.829 -8.450 1.00 0.00 C ATOM 827 C ALA A 54 0.492 5.462 -8.262 1.00 0.00 C ATOM 828 O ALA A 54 0.628 4.585 -9.120 1.00 0.00 O ATOM 829 CB ALA A 54 0.232 7.686 -9.335 1.00 0.00 C ATOM 0 H ALA A 54 2.534 6.000 -9.760 1.00 0.00 H new ATOM 0 HA ALA A 54 1.280 7.275 -7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.756 7.754 -8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.655 8.685 -9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.146 7.228 -10.320 1.00 0.00 H new ATOM 835 N ILE A 55 -0.251 5.296 -7.162 1.00 0.00 N ATOM 836 CA ILE A 55 -0.949 4.047 -6.896 1.00 0.00 C ATOM 837 C ILE A 55 -2.203 4.048 -7.772 1.00 0.00 C ATOM 838 O ILE A 55 -2.390 3.158 -8.596 1.00 0.00 O ATOM 839 CB ILE A 55 -1.263 3.892 -5.397 1.00 0.00 C ATOM 840 CG1 ILE A 55 0.033 3.866 -4.569 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.065 2.606 -5.186 1.00 0.00 C ATOM 842 CD1 ILE A 55 -0.184 3.632 -3.068 1.00 0.00 C ATOM 0 H ILE A 55 -0.380 6.012 -6.448 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.330 3.185 -7.144 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.852 4.745 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.683 3.082 -4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.557 4.812 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.292 2.488 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.995 2.660 -5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.480 1.752 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.779 3.628 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.807 4.429 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.679 2.673 -2.917 1.00 0.00 H new ATOM 854 N GLY A 56 -3.061 5.058 -7.595 1.00 0.00 N ATOM 855 CA GLY A 56 -4.297 5.246 -8.341 1.00 0.00 C ATOM 856 C GLY A 56 -5.353 4.143 -8.227 1.00 0.00 C ATOM 857 O GLY A 56 -6.389 4.242 -8.894 1.00 0.00 O ATOM 0 H GLY A 56 -2.903 5.790 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.749 6.183 -8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.042 5.363 -9.394 1.00 0.00 H new ATOM 861 N GLN A 57 -5.159 3.122 -7.398 1.00 0.00 N ATOM 862 CA GLN A 57 -6.116 2.040 -7.249 1.00 0.00 C ATOM 863 C GLN A 57 -7.230 2.446 -6.276 1.00 0.00 C ATOM 864 O GLN A 57 -7.083 3.396 -5.494 1.00 0.00 O ATOM 865 CB GLN A 57 -5.376 0.777 -6.777 1.00 0.00 C ATOM 866 CG GLN A 57 -4.190 0.397 -7.692 1.00 0.00 C ATOM 867 CD GLN A 57 -4.016 -1.116 -7.784 1.00 0.00 C ATOM 868 OE1 GLN A 57 -4.897 -1.778 -8.310 1.00 0.00 O ATOM 869 NE2 GLN A 57 -2.931 -1.693 -7.302 1.00 0.00 N ATOM 0 H GLN A 57 -4.331 3.025 -6.811 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.589 1.824 -8.207 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.010 0.935 -5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.078 -0.056 -6.737 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.353 0.807 -8.689 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.274 0.847 -7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.203 -1.127 -6.865 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.820 -2.705 -7.366 1.00 0.00 H new ATOM 878 N THR A 58 -8.347 1.725 -6.317 1.00 0.00 N ATOM 879 CA THR A 58 -9.491 1.951 -5.445 1.00 0.00 C ATOM 880 C THR A 58 -10.137 0.591 -5.226 1.00 0.00 C ATOM 881 O THR A 58 -10.547 -0.050 -6.196 1.00 0.00 O ATOM 882 CB THR A 58 -10.516 2.938 -6.025 1.00 0.00 C ATOM 883 OG1 THR A 58 -9.899 4.067 -6.615 1.00 0.00 O ATOM 884 CG2 THR A 58 -11.461 3.449 -4.926 1.00 0.00 C ATOM 0 H THR A 58 -8.483 0.953 -6.970 1.00 0.00 H new ATOM 0 HA THR A 58 -9.149 2.405 -4.515 1.00 0.00 H new ATOM 0 HB THR A 58 -11.067 2.387 -6.788 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.587 4.667 -6.972 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.178 4.146 -5.358 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.994 2.607 -4.484 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.881 3.956 -4.155 1.00 0.00 H new ATOM 892 N PHE A 59 -10.211 0.146 -3.973 1.00 0.00 N ATOM 893 CA PHE A 59 -10.789 -1.140 -3.609 1.00 0.00 C ATOM 894 C PHE A 59 -11.743 -0.990 -2.428 1.00 0.00 C ATOM 895 O PHE A 59 -11.826 0.083 -1.829 1.00 0.00 O ATOM 896 CB PHE A 59 -9.664 -2.109 -3.237 1.00 0.00 C ATOM 897 CG PHE A 59 -8.694 -2.423 -4.354 1.00 0.00 C ATOM 898 CD1 PHE A 59 -9.107 -3.223 -5.434 1.00 0.00 C ATOM 899 CD2 PHE A 59 -7.370 -1.954 -4.291 1.00 0.00 C ATOM 900 CE1 PHE A 59 -8.184 -3.588 -6.426 1.00 0.00 C ATOM 901 CE2 PHE A 59 -6.442 -2.345 -5.267 1.00 0.00 C ATOM 902 CZ PHE A 59 -6.851 -3.161 -6.335 1.00 0.00 C ATOM 0 H PHE A 59 -9.866 0.678 -3.174 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.351 -1.526 -4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.106 -1.690 -2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -10.109 -3.042 -2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -10.132 -3.556 -5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.068 -1.293 -3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.500 -4.198 -7.260 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.415 -2.019 -5.198 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.137 -3.460 -7.088 1.00 0.00 H new ATOM 912 N PHE A 60 -12.429 -2.072 -2.056 1.00 0.00 N ATOM 913 CA PHE A 60 -13.357 -2.095 -0.935 1.00 0.00 C ATOM 914 C PHE A 60 -13.190 -3.382 -0.140 1.00 0.00 C ATOM 915 O PHE A 60 -12.813 -4.414 -0.709 1.00 0.00 O ATOM 916 CB PHE A 60 -14.801 -2.073 -1.434 1.00 0.00 C ATOM 917 CG PHE A 60 -15.209 -0.875 -2.253 1.00 0.00 C ATOM 918 CD1 PHE A 60 -14.957 -0.862 -3.636 1.00 0.00 C ATOM 919 CD2 PHE A 60 -15.882 0.204 -1.653 1.00 0.00 C ATOM 920 CE1 PHE A 60 -15.384 0.220 -4.416 1.00 0.00 C ATOM 921 CE2 PHE A 60 -16.361 1.259 -2.441 1.00 0.00 C ATOM 922 CZ PHE A 60 -16.103 1.269 -3.818 1.00 0.00 C ATOM 0 H PHE A 60 -12.351 -2.969 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.145 -1.221 -0.319 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -14.970 -2.969 -2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.462 -2.137 -0.570 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.434 -1.687 -4.097 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -16.030 0.220 -0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -15.162 0.248 -5.472 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.926 2.061 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.459 2.089 -4.424 1.00 0.00 H new ATOM 932 N VAL A 61 -13.505 -3.326 1.153 1.00 0.00 N ATOM 933 CA VAL A 61 -13.452 -4.457 2.061 1.00 0.00 C ATOM 934 C VAL A 61 -14.659 -4.366 2.995 1.00 0.00 C ATOM 935 O VAL A 61 -15.329 -3.334 3.058 1.00 0.00 O ATOM 936 CB VAL A 61 -12.130 -4.559 2.823 1.00 0.00 C ATOM 937 CG1 VAL A 61 -10.950 -4.792 1.889 1.00 0.00 C ATOM 938 CG2 VAL A 61 -11.859 -3.350 3.709 1.00 0.00 C ATOM 0 H VAL A 61 -13.812 -2.465 1.605 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.498 -5.380 1.483 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.238 -5.427 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.032 -4.858 2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -11.099 -5.722 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.874 -3.963 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.907 -3.482 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.818 -2.451 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.658 -3.251 4.444 1.00 0.00 H new ATOM 948 N ASP A 62 -14.969 -5.445 3.693 1.00 0.00 N ATOM 949 CA ASP A 62 -16.070 -5.565 4.640 1.00 0.00 C ATOM 950 C ASP A 62 -15.538 -5.451 6.066 1.00 0.00 C ATOM 951 O ASP A 62 -14.396 -5.033 6.298 1.00 0.00 O ATOM 952 CB ASP A 62 -16.808 -6.892 4.400 1.00 0.00 C ATOM 953 CG ASP A 62 -15.945 -8.133 4.624 1.00 0.00 C ATOM 954 OD1 ASP A 62 -14.761 -8.004 5.006 1.00 0.00 O ATOM 955 OD2 ASP A 62 -16.452 -9.230 4.318 1.00 0.00 O ATOM 0 H ASP A 62 -14.432 -6.308 3.612 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.785 -4.756 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.673 -6.939 5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.187 -6.905 3.378 1.00 0.00 H new ATOM 960 N GLY A 63 -16.400 -5.731 7.047 1.00 0.00 N ATOM 961 CA GLY A 63 -16.044 -5.686 8.454 1.00 0.00 C ATOM 962 C GLY A 63 -14.918 -6.666 8.764 1.00 0.00 C ATOM 963 O GLY A 63 -14.179 -6.454 9.721 1.00 0.00 O ATOM 0 H GLY A 63 -17.370 -5.997 6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.736 -4.676 8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.917 -5.925 9.062 1.00 0.00 H new ATOM 967 N ASP A 64 -14.756 -7.723 7.961 1.00 0.00 N ATOM 968 CA ASP A 64 -13.709 -8.715 8.161 1.00 0.00 C ATOM 969 C ASP A 64 -12.406 -8.303 7.480 1.00 0.00 C ATOM 970 O ASP A 64 -11.327 -8.686 7.927 1.00 0.00 O ATOM 971 CB ASP A 64 -14.148 -10.073 7.604 1.00 0.00 C ATOM 972 CG ASP A 64 -13.173 -11.160 8.059 1.00 0.00 C ATOM 973 OD1 ASP A 64 -12.840 -11.220 9.268 1.00 0.00 O ATOM 974 OD2 ASP A 64 -12.736 -11.985 7.230 1.00 0.00 O ATOM 0 H ASP A 64 -15.351 -7.910 7.154 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.536 -8.788 9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.155 -10.309 7.947 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.183 -10.036 6.515 1.00 0.00 H new ATOM 979 N GLY A 65 -12.481 -7.400 6.502 1.00 0.00 N ATOM 980 CA GLY A 65 -11.355 -6.896 5.730 1.00 0.00 C ATOM 981 C GLY A 65 -11.148 -7.691 4.440 1.00 0.00 C ATOM 982 O GLY A 65 -10.074 -7.640 3.843 1.00 0.00 O ATOM 0 H GLY A 65 -13.368 -6.985 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.522 -5.847 5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.450 -6.943 6.335 1.00 0.00 H new ATOM 986 N LYS A 66 -12.153 -8.462 4.020 1.00 0.00 N ATOM 987 CA LYS A 66 -12.104 -9.294 2.827 1.00 0.00 C ATOM 988 C LYS A 66 -12.377 -8.450 1.604 1.00 0.00 C ATOM 989 O LYS A 66 -13.340 -7.678 1.600 1.00 0.00 O ATOM 990 CB LYS A 66 -13.165 -10.395 2.931 1.00 0.00 C ATOM 991 CG LYS A 66 -12.867 -11.430 4.023 1.00 0.00 C ATOM 992 CD LYS A 66 -12.010 -12.606 3.544 1.00 0.00 C ATOM 993 CE LYS A 66 -10.556 -12.223 3.259 1.00 0.00 C ATOM 994 NZ LYS A 66 -9.755 -13.415 2.940 1.00 0.00 N ATOM 0 H LYS A 66 -13.043 -8.523 4.515 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.115 -9.743 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.134 -9.937 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.244 -10.904 1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.358 -10.935 4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.809 -11.815 4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.029 -13.391 4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.452 -13.023 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.517 -11.520 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.132 -11.716 4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.772 -13.132 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.777 -14.073 3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.149 -13.883 2.099 1.00 0.00 H new ATOM 1008 N ARG A 67 -11.550 -8.596 0.571 1.00 0.00 N ATOM 1009 CA ARG A 67 -11.697 -7.865 -0.678 1.00 0.00 C ATOM 1010 C ARG A 67 -13.041 -8.185 -1.310 1.00 0.00 C ATOM 1011 O ARG A 67 -13.326 -9.342 -1.619 1.00 0.00 O ATOM 1012 CB ARG A 67 -10.543 -8.230 -1.617 1.00 0.00 C ATOM 1013 CG ARG A 67 -9.377 -7.244 -1.454 1.00 0.00 C ATOM 1014 CD ARG A 67 -9.639 -5.848 -2.053 1.00 0.00 C ATOM 1015 NE ARG A 67 -10.316 -5.869 -3.363 1.00 0.00 N ATOM 1016 CZ ARG A 67 -9.934 -6.474 -4.496 1.00 0.00 C ATOM 1017 NH1 ARG A 67 -8.808 -7.166 -4.577 1.00 0.00 N ATOM 1018 NH2 ARG A 67 -10.726 -6.396 -5.556 1.00 0.00 N ATOM 0 H ARG A 67 -10.753 -9.232 0.581 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.663 -6.793 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.201 -9.243 -1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.891 -8.221 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.154 -7.135 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.490 -7.668 -1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.245 -5.273 -1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.688 -5.325 -2.156 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.194 -5.353 -3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.202 -7.251 -3.761 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.547 -7.614 -5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.606 -5.883 -5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.456 -6.849 -6.429 1.00 0.00 H new ATOM 1032 N TRP A 68 -13.863 -7.154 -1.480 1.00 0.00 N ATOM 1033 CA TRP A 68 -15.176 -7.311 -2.086 1.00 0.00 C ATOM 1034 C TRP A 68 -14.993 -7.698 -3.550 1.00 0.00 C ATOM 1035 O TRP A 68 -14.251 -7.019 -4.273 1.00 0.00 O ATOM 1036 CB TRP A 68 -15.975 -6.004 -2.048 1.00 0.00 C ATOM 1037 CG TRP A 68 -16.801 -5.723 -0.833 1.00 0.00 C ATOM 1038 CD1 TRP A 68 -16.361 -5.608 0.438 1.00 0.00 C ATOM 1039 CD2 TRP A 68 -18.251 -5.580 -0.754 1.00 0.00 C ATOM 1040 NE1 TRP A 68 -17.425 -5.371 1.285 1.00 0.00 N ATOM 1041 CE2 TRP A 68 -18.623 -5.406 0.611 1.00 0.00 C ATOM 1042 CE3 TRP A 68 -19.297 -5.631 -1.699 1.00 0.00 C ATOM 1043 CZ2 TRP A 68 -19.961 -5.316 1.020 1.00 0.00 C ATOM 1044 CZ3 TRP A 68 -20.639 -5.506 -1.303 1.00 0.00 C ATOM 1045 CH2 TRP A 68 -20.970 -5.351 0.050 1.00 0.00 C ATOM 0 H TRP A 68 -13.639 -6.198 -1.204 1.00 0.00 H new ATOM 0 HA TRP A 68 -15.717 -8.074 -1.527 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -15.273 -5.179 -2.173 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -16.638 -5.992 -2.913 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -15.329 -5.689 0.747 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -17.334 -5.192 2.285 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -19.062 -5.768 -2.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -20.209 -5.221 2.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -21.422 -5.530 -2.047 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -22.005 -5.258 0.345 1.00 0.00 H new ATOM 1056 N SER A 69 -15.653 -8.777 -3.965 1.00 0.00 N ATOM 1057 CA SER A 69 -15.623 -9.257 -5.340 1.00 0.00 C ATOM 1058 C SER A 69 -16.307 -8.185 -6.204 1.00 0.00 C ATOM 1059 O SER A 69 -17.202 -7.488 -5.727 1.00 0.00 O ATOM 1060 CB SER A 69 -16.340 -10.611 -5.398 1.00 0.00 C ATOM 1061 OG SER A 69 -15.519 -11.609 -4.805 1.00 0.00 O ATOM 0 H SER A 69 -16.230 -9.348 -3.347 1.00 0.00 H new ATOM 0 HA SER A 69 -14.611 -9.413 -5.713 1.00 0.00 H new ATOM 0 HB2 SER A 69 -17.294 -10.552 -4.874 1.00 0.00 H new ATOM 0 HB3 SER A 69 -16.560 -10.874 -6.433 1.00 0.00 H new ATOM 0 HG SER A 69 -15.978 -12.474 -4.841 1.00 0.00 H new ATOM 1067 N GLU A 70 -15.928 -8.046 -7.475 1.00 0.00 N ATOM 1068 CA GLU A 70 -16.507 -7.035 -8.367 1.00 0.00 C ATOM 1069 C GLU A 70 -18.006 -7.232 -8.548 1.00 0.00 C ATOM 1070 O GLU A 70 -18.748 -6.265 -8.680 1.00 0.00 O ATOM 1071 CB GLU A 70 -15.767 -7.008 -9.708 1.00 0.00 C ATOM 1072 CG GLU A 70 -14.300 -6.649 -9.445 1.00 0.00 C ATOM 1073 CD GLU A 70 -13.507 -6.479 -10.732 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -13.063 -7.485 -11.324 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -13.251 -5.309 -11.108 1.00 0.00 O ATOM 0 H GLU A 70 -15.215 -8.627 -7.916 1.00 0.00 H new ATOM 0 HA GLU A 70 -16.377 -6.060 -7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.838 -7.978 -10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.222 -6.278 -10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.252 -5.726 -8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.841 -7.429 -8.838 1.00 0.00 H new ATOM 1082 N GLU A 71 -18.460 -8.481 -8.495 1.00 0.00 N ATOM 1083 CA GLU A 71 -19.868 -8.806 -8.624 1.00 0.00 C ATOM 1084 C GLU A 71 -20.600 -8.266 -7.401 1.00 0.00 C ATOM 1085 O GLU A 71 -21.629 -7.617 -7.522 1.00 0.00 O ATOM 1086 CB GLU A 71 -20.020 -10.315 -8.744 1.00 0.00 C ATOM 1087 CG GLU A 71 -19.349 -10.811 -10.019 1.00 0.00 C ATOM 1088 CD GLU A 71 -19.587 -12.300 -10.200 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -20.675 -12.688 -10.674 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -18.643 -13.088 -9.970 1.00 0.00 O ATOM 0 H GLU A 71 -17.858 -9.293 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 71 -20.297 -8.351 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -19.575 -10.803 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -21.077 -10.582 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.741 -10.267 -10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -18.279 -10.610 -9.975 1.00 0.00 H new ATOM 1097 N GLU A 72 -20.041 -8.465 -6.210 1.00 0.00 N ATOM 1098 CA GLU A 72 -20.653 -7.969 -4.984 1.00 0.00 C ATOM 1099 C GLU A 72 -20.749 -6.437 -5.057 1.00 0.00 C ATOM 1100 O GLU A 72 -21.661 -5.838 -4.496 1.00 0.00 O ATOM 1101 CB GLU A 72 -19.833 -8.433 -3.770 1.00 0.00 C ATOM 1102 CG GLU A 72 -19.835 -9.959 -3.596 1.00 0.00 C ATOM 1103 CD GLU A 72 -21.221 -10.456 -3.190 1.00 0.00 C ATOM 1104 OE1 GLU A 72 -21.616 -10.158 -2.038 1.00 0.00 O ATOM 1105 OE2 GLU A 72 -21.908 -11.087 -4.019 1.00 0.00 O ATOM 0 H GLU A 72 -19.164 -8.967 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 72 -21.660 -8.370 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.805 -8.086 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.233 -7.969 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.531 -10.436 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.105 -10.244 -2.839 1.00 0.00 H new ATOM 1112 N LEU A 73 -19.813 -5.781 -5.753 1.00 0.00 N ATOM 1113 CA LEU A 73 -19.786 -4.332 -5.920 1.00 0.00 C ATOM 1114 C LEU A 73 -20.774 -3.821 -6.969 1.00 0.00 C ATOM 1115 O LEU A 73 -21.036 -2.612 -6.975 1.00 0.00 O ATOM 1116 CB LEU A 73 -18.375 -3.849 -6.293 1.00 0.00 C ATOM 1117 CG LEU A 73 -17.332 -4.101 -5.199 1.00 0.00 C ATOM 1118 CD1 LEU A 73 -15.947 -3.719 -5.716 1.00 0.00 C ATOM 1119 CD2 LEU A 73 -17.645 -3.303 -3.934 1.00 0.00 C ATOM 0 H LEU A 73 -19.042 -6.255 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.086 -3.923 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.058 -4.350 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.411 -2.781 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.356 -5.161 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -15.206 -3.898 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.707 -4.322 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -15.939 -2.664 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -16.885 -3.505 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -17.650 -2.238 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -18.623 -3.595 -3.552 1.00 0.00 H new ATOM 1131 N LYS A 74 -21.311 -4.689 -7.831 1.00 0.00 N ATOM 1132 CA LYS A 74 -22.262 -4.319 -8.886 1.00 0.00 C ATOM 1133 C LYS A 74 -23.683 -4.803 -8.595 1.00 0.00 C ATOM 1134 O LYS A 74 -24.607 -4.339 -9.268 1.00 0.00 O ATOM 1135 CB LYS A 74 -21.750 -4.816 -10.249 1.00 0.00 C ATOM 1136 CG LYS A 74 -22.207 -6.250 -10.558 1.00 0.00 C ATOM 1137 CD LYS A 74 -21.387 -6.895 -11.661 1.00 0.00 C ATOM 1138 CE LYS A 74 -21.915 -8.303 -11.961 1.00 0.00 C ATOM 1139 NZ LYS A 74 -23.218 -8.299 -12.660 1.00 0.00 N ATOM 0 H LYS A 74 -21.094 -5.686 -7.816 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.325 -3.231 -8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.105 -4.147 -11.033 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.661 -4.774 -10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.134 -6.854 -9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -23.257 -6.239 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.431 -6.283 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.340 -6.948 -11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.185 -8.836 -12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.013 -8.854 -11.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.457 -9.267 -12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.955 -7.940 -12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -23.160 -7.686 -13.498 1.00 0.00 H new ATOM 1321 N ARG A 86 -23.780 -6.533 3.807 1.00 0.00 N ATOM 1322 CA ARG A 86 -22.622 -6.343 4.683 1.00 0.00 C ATOM 1323 C ARG A 86 -22.042 -4.942 4.492 1.00 0.00 C ATOM 1324 O ARG A 86 -22.343 -4.268 3.501 1.00 0.00 O ATOM 1325 CB ARG A 86 -21.615 -7.483 4.402 1.00 0.00 C ATOM 1326 CG ARG A 86 -21.001 -8.111 5.669 1.00 0.00 C ATOM 1327 CD ARG A 86 -20.404 -9.514 5.439 1.00 0.00 C ATOM 1328 NE ARG A 86 -19.308 -9.518 4.456 1.00 0.00 N ATOM 1329 CZ ARG A 86 -19.452 -9.632 3.130 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -20.579 -10.059 2.570 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -18.458 -9.276 2.337 1.00 0.00 N ATOM 0 HA ARG A 86 -22.901 -6.401 5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -22.117 -8.263 3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -20.811 -7.096 3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -20.221 -7.452 6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -21.768 -8.174 6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.036 -9.906 6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.192 -10.187 5.100 1.00 0.00 H new ATOM 0 HE ARG A 86 -18.358 -9.426 4.816 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -21.375 -10.314 3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -20.648 -10.132 1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.590 -8.918 2.736 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.558 -9.359 1.325 1.00 0.00 H new ATOM 1345 N GLU A 87 -21.234 -4.480 5.450 1.00 0.00 N ATOM 1346 CA GLU A 87 -20.610 -3.158 5.388 1.00 0.00 C ATOM 1347 C GLU A 87 -19.564 -3.114 4.271 1.00 0.00 C ATOM 1348 O GLU A 87 -19.005 -4.149 3.897 1.00 0.00 O ATOM 1349 CB GLU A 87 -20.041 -2.736 6.747 1.00 0.00 C ATOM 1350 CG GLU A 87 -18.909 -3.635 7.234 1.00 0.00 C ATOM 1351 CD GLU A 87 -18.594 -3.365 8.704 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -18.086 -2.251 8.984 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -18.800 -4.268 9.541 1.00 0.00 O ATOM 0 H GLU A 87 -20.995 -5.011 6.288 1.00 0.00 H new ATOM 0 HA GLU A 87 -21.378 -2.425 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -19.677 -1.711 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.842 -2.741 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -19.188 -4.681 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.018 -3.465 6.630 1.00 0.00 H new ATOM 1360 N LYS A 88 -19.235 -1.915 3.782 1.00 0.00 N ATOM 1361 CA LYS A 88 -18.286 -1.736 2.687 1.00 0.00 C ATOM 1362 C LYS A 88 -17.406 -0.498 2.873 1.00 0.00 C ATOM 1363 O LYS A 88 -17.836 0.636 2.648 1.00 0.00 O ATOM 1364 CB LYS A 88 -19.128 -1.681 1.412 1.00 0.00 C ATOM 1365 CG LYS A 88 -18.288 -1.753 0.145 1.00 0.00 C ATOM 1366 CD LYS A 88 -19.148 -1.912 -1.108 1.00 0.00 C ATOM 1367 CE LYS A 88 -20.136 -0.764 -1.327 1.00 0.00 C ATOM 1368 NZ LYS A 88 -19.779 0.122 -2.453 1.00 0.00 N ATOM 0 H LYS A 88 -19.622 -1.041 4.137 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.573 -2.559 2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.840 -2.506 1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.709 -0.758 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.686 -0.849 0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.595 -2.591 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.496 -1.989 -1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -19.702 -2.848 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -21.128 -1.179 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -20.197 -0.170 -0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -20.388 0.965 -2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.784 0.413 -2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.912 -0.386 -3.350 1.00 0.00 H new ATOM 1382 N LYS A 89 -16.157 -0.717 3.279 1.00 0.00 N ATOM 1383 CA LYS A 89 -15.112 0.261 3.547 1.00 0.00 C ATOM 1384 C LYS A 89 -14.309 0.564 2.278 1.00 0.00 C ATOM 1385 O LYS A 89 -13.538 -0.294 1.847 1.00 0.00 O ATOM 1386 CB LYS A 89 -14.149 -0.314 4.600 1.00 0.00 C ATOM 1387 CG LYS A 89 -14.826 -0.585 5.948 1.00 0.00 C ATOM 1388 CD LYS A 89 -13.955 -1.492 6.830 1.00 0.00 C ATOM 1389 CE LYS A 89 -14.855 -2.353 7.707 1.00 0.00 C ATOM 1390 NZ LYS A 89 -15.513 -1.569 8.765 1.00 0.00 N ATOM 0 H LYS A 89 -15.824 -1.667 3.442 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.580 1.179 3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.719 -1.242 4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.324 0.382 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.011 0.358 6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.796 -1.054 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.321 -2.124 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.293 -0.888 7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.613 -2.832 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.264 -3.149 8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.238 -1.943 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.221 -0.573 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.545 -1.636 8.656 1.00 0.00 H new ATOM 1404 N PRO A 90 -14.474 1.733 1.644 1.00 0.00 N ATOM 1405 CA PRO A 90 -13.724 2.109 0.452 1.00 0.00 C ATOM 1406 C PRO A 90 -12.279 2.476 0.831 1.00 0.00 C ATOM 1407 O PRO A 90 -12.032 3.138 1.842 1.00 0.00 O ATOM 1408 CB PRO A 90 -14.461 3.324 -0.115 1.00 0.00 C ATOM 1409 CG PRO A 90 -15.098 3.960 1.116 1.00 0.00 C ATOM 1410 CD PRO A 90 -15.370 2.794 2.055 1.00 0.00 C ATOM 0 HA PRO A 90 -13.664 1.298 -0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.778 4.011 -0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.211 3.032 -0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.431 4.691 1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.018 4.485 0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -15.189 3.078 3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.410 2.474 1.989 1.00 0.00 H new ATOM 1418 N LEU A 91 -11.323 2.125 -0.025 1.00 0.00 N ATOM 1419 CA LEU A 91 -9.883 2.350 0.099 1.00 0.00 C ATOM 1420 C LEU A 91 -9.497 3.061 -1.190 1.00 0.00 C ATOM 1421 O LEU A 91 -9.485 2.441 -2.250 1.00 0.00 O ATOM 1422 CB LEU A 91 -9.140 1.010 0.254 1.00 0.00 C ATOM 1423 CG LEU A 91 -9.626 0.111 1.407 1.00 0.00 C ATOM 1424 CD1 LEU A 91 -8.894 -1.227 1.311 1.00 0.00 C ATOM 1425 CD2 LEU A 91 -9.417 0.730 2.793 1.00 0.00 C ATOM 0 H LEU A 91 -11.552 1.638 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.620 2.939 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.230 0.454 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.080 1.217 0.400 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.703 -0.018 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.223 -1.881 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.116 -1.695 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.820 -1.061 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.782 0.043 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.355 0.918 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.966 1.670 2.858 1.00 0.00 H new ATOM 1437 N ARG A 92 -9.251 4.371 -1.126 1.00 0.00 N ATOM 1438 CA ARG A 92 -8.907 5.207 -2.278 1.00 0.00 C ATOM 1439 C ARG A 92 -7.428 5.554 -2.213 1.00 0.00 C ATOM 1440 O ARG A 92 -7.039 6.353 -1.362 1.00 0.00 O ATOM 1441 CB ARG A 92 -9.789 6.470 -2.272 1.00 0.00 C ATOM 1442 CG ARG A 92 -11.306 6.187 -2.341 1.00 0.00 C ATOM 1443 CD ARG A 92 -12.087 7.166 -1.455 1.00 0.00 C ATOM 1444 NE ARG A 92 -13.520 6.842 -1.397 1.00 0.00 N ATOM 1445 CZ ARG A 92 -14.357 7.071 -0.378 1.00 0.00 C ATOM 1446 NH1 ARG A 92 -13.943 7.623 0.761 1.00 0.00 N ATOM 1447 NH2 ARG A 92 -15.631 6.716 -0.487 1.00 0.00 N ATOM 0 H ARG A 92 -9.286 4.893 -0.250 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.092 4.673 -3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.579 7.041 -1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.510 7.098 -3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.649 6.271 -3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.504 5.164 -2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.672 7.151 -0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.961 8.179 -1.837 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.919 6.395 -2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.964 7.884 0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.605 7.785 1.520 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.965 6.272 -1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.276 6.887 0.285 1.00 0.00 H new ATOM 1461 N TYR A 93 -6.604 4.914 -3.041 1.00 0.00 N ATOM 1462 CA TYR A 93 -5.170 5.159 -3.063 1.00 0.00 C ATOM 1463 C TYR A 93 -4.840 6.338 -3.967 1.00 0.00 C ATOM 1464 O TYR A 93 -5.455 6.525 -5.018 1.00 0.00 O ATOM 1465 CB TYR A 93 -4.411 3.920 -3.493 1.00 0.00 C ATOM 1466 CG TYR A 93 -4.530 2.760 -2.535 1.00 0.00 C ATOM 1467 CD1 TYR A 93 -5.639 1.895 -2.588 1.00 0.00 C ATOM 1468 CD2 TYR A 93 -3.533 2.571 -1.566 1.00 0.00 C ATOM 1469 CE1 TYR A 93 -5.792 0.889 -1.614 1.00 0.00 C ATOM 1470 CE2 TYR A 93 -3.665 1.549 -0.622 1.00 0.00 C ATOM 1471 CZ TYR A 93 -4.806 0.725 -0.612 1.00 0.00 C ATOM 1472 OH TYR A 93 -4.954 -0.211 0.362 1.00 0.00 O ATOM 0 H TYR A 93 -6.915 4.213 -3.713 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.855 5.407 -2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.773 3.607 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.358 4.175 -3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.372 2.002 -3.374 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.665 3.214 -1.550 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.659 0.245 -1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.884 1.390 0.107 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.180 -0.183 0.963 1.00 0.00 H new ATOM 1482 N GLY A 94 -3.778 7.041 -3.594 1.00 0.00 N ATOM 1483 CA GLY A 94 -3.193 8.224 -4.116 1.00 0.00 C ATOM 1484 C GLY A 94 -1.813 8.162 -4.759 1.00 0.00 C ATOM 1485 O GLY A 94 -1.142 7.128 -4.743 1.00 0.00 O ATOM 0 H GLY A 94 -3.240 6.722 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.881 8.627 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.142 8.948 -3.303 1.00 0.00 H new ATOM 1489 N LYS A 95 -1.451 9.233 -5.475 1.00 0.00 N ATOM 1490 CA LYS A 95 -0.153 9.342 -6.138 1.00 0.00 C ATOM 1491 C LYS A 95 0.944 9.367 -5.053 1.00 0.00 C ATOM 1492 O LYS A 95 0.666 9.632 -3.874 1.00 0.00 O ATOM 1493 CB LYS A 95 -0.156 10.625 -6.989 1.00 0.00 C ATOM 1494 CG LYS A 95 1.176 10.971 -7.661 1.00 0.00 C ATOM 1495 CD LYS A 95 0.976 12.033 -8.748 1.00 0.00 C ATOM 1496 CE LYS A 95 0.692 11.339 -10.079 1.00 0.00 C ATOM 1497 NZ LYS A 95 0.206 12.270 -11.107 1.00 0.00 N ATOM 0 H LYS A 95 -2.052 10.046 -5.609 1.00 0.00 H new ATOM 0 HA LYS A 95 0.042 8.496 -6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.918 10.526 -7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.451 11.461 -6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.881 11.336 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.612 10.073 -8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.148 12.691 -8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.865 12.657 -8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.602 10.854 -10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.048 10.554 -9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.028 11.750 -11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.677 12.715 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.922 13.005 -11.276 1.00 0.00 H new ATOM 1511 N VAL A 96 2.169 9.022 -5.453 1.00 0.00 N ATOM 1512 CA VAL A 96 3.344 8.930 -4.601 1.00 0.00 C ATOM 1513 C VAL A 96 4.355 10.015 -4.952 1.00 0.00 C ATOM 1514 O VAL A 96 4.467 10.480 -6.095 1.00 0.00 O ATOM 1515 CB VAL A 96 3.938 7.509 -4.728 1.00 0.00 C ATOM 1516 CG1 VAL A 96 5.123 7.242 -3.794 1.00 0.00 C ATOM 1517 CG2 VAL A 96 2.877 6.446 -4.421 1.00 0.00 C ATOM 0 H VAL A 96 2.373 8.790 -6.425 1.00 0.00 H new ATOM 0 HA VAL A 96 3.066 9.097 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 96 4.288 7.449 -5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.482 6.224 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.925 7.946 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.805 7.366 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.318 5.454 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.508 6.583 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.049 6.545 -5.123 1.00 0.00 H new ATOM 1527 N TYR A 97 5.160 10.376 -3.960 1.00 0.00 N ATOM 1528 CA TYR A 97 6.177 11.390 -4.049 1.00 0.00 C ATOM 1529 C TYR A 97 7.448 10.928 -3.348 1.00 0.00 C ATOM 1530 O TYR A 97 7.449 9.947 -2.612 1.00 0.00 O ATOM 1531 CB TYR A 97 5.655 12.645 -3.339 1.00 0.00 C ATOM 1532 CG TYR A 97 4.216 13.017 -3.650 1.00 0.00 C ATOM 1533 CD1 TYR A 97 3.969 13.774 -4.799 1.00 0.00 C ATOM 1534 CD2 TYR A 97 3.142 12.576 -2.841 1.00 0.00 C ATOM 1535 CE1 TYR A 97 2.652 14.122 -5.131 1.00 0.00 C ATOM 1536 CE2 TYR A 97 1.807 12.888 -3.176 1.00 0.00 C ATOM 1537 CZ TYR A 97 1.579 13.683 -4.334 1.00 0.00 C ATOM 1538 OH TYR A 97 0.340 14.030 -4.756 1.00 0.00 O ATOM 0 H TYR A 97 5.111 9.945 -3.037 1.00 0.00 H new ATOM 0 HA TYR A 97 6.403 11.592 -5.096 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.751 12.500 -2.263 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.296 13.486 -3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.789 14.089 -5.428 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.347 11.993 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.460 14.730 -6.003 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.984 12.534 -2.572 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.057 14.661 -4.120 1.00 0.00 H new ATOM 1548 N SER A 98 8.527 11.658 -3.574 1.00 0.00 N ATOM 1549 CA SER A 98 9.839 11.450 -3.007 1.00 0.00 C ATOM 1550 C SER A 98 9.949 12.372 -1.800 1.00 0.00 C ATOM 1551 O SER A 98 9.256 13.394 -1.701 1.00 0.00 O ATOM 1552 CB SER A 98 10.882 11.854 -4.057 1.00 0.00 C ATOM 1553 OG SER A 98 12.217 11.863 -3.580 1.00 0.00 O ATOM 0 H SER A 98 8.503 12.463 -4.200 1.00 0.00 H new ATOM 0 HA SER A 98 9.999 10.412 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.815 11.168 -4.901 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.636 12.847 -4.433 1.00 0.00 H new ATOM 0 HG SER A 98 12.330 12.594 -2.937 1.00 0.00 H new ATOM 1559 N THR A 99 10.833 12.000 -0.891 1.00 0.00 N ATOM 1560 CA THR A 99 11.149 12.737 0.315 1.00 0.00 C ATOM 1561 C THR A 99 12.260 13.730 -0.038 1.00 0.00 C ATOM 1562 O THR A 99 12.675 13.815 -1.203 1.00 0.00 O ATOM 1563 CB THR A 99 11.624 11.720 1.360 1.00 0.00 C ATOM 1564 OG1 THR A 99 12.589 10.836 0.808 1.00 0.00 O ATOM 1565 CG2 THR A 99 10.429 10.960 1.909 1.00 0.00 C ATOM 0 H THR A 99 11.372 11.139 -0.979 1.00 0.00 H new ATOM 0 HA THR A 99 10.295 13.284 0.714 1.00 0.00 H new ATOM 0 HB THR A 99 12.107 12.252 2.180 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.159 9.987 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.767 10.237 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.735 11.660 2.374 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.926 10.436 1.096 1.00 0.00 H new ATOM 1669 N ASP A 107 14.873 5.138 -0.509 1.00 0.00 N ATOM 1670 CA ASP A 107 14.490 4.250 0.585 1.00 0.00 C ATOM 1671 C ASP A 107 13.360 4.836 1.421 1.00 0.00 C ATOM 1672 O ASP A 107 12.720 4.102 2.180 1.00 0.00 O ATOM 1673 CB ASP A 107 15.677 3.622 1.333 1.00 0.00 C ATOM 1674 CG ASP A 107 16.465 4.463 2.338 1.00 0.00 C ATOM 1675 OD1 ASP A 107 15.921 5.408 2.940 1.00 0.00 O ATOM 1676 OD2 ASP A 107 17.642 4.084 2.585 1.00 0.00 O ATOM 0 HA ASP A 107 14.043 3.357 0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.302 2.746 1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.382 3.263 0.583 1.00 0.00 H new ATOM 1681 N GLU A 108 12.999 6.106 1.221 1.00 0.00 N ATOM 1682 CA GLU A 108 11.888 6.730 1.924 1.00 0.00 C ATOM 1683 C GLU A 108 11.120 7.513 0.855 1.00 0.00 C ATOM 1684 O GLU A 108 11.710 8.227 0.039 1.00 0.00 O ATOM 1685 CB GLU A 108 12.421 7.603 3.065 1.00 0.00 C ATOM 1686 CG GLU A 108 12.245 6.929 4.439 1.00 0.00 C ATOM 1687 CD GLU A 108 12.325 7.948 5.565 1.00 0.00 C ATOM 1688 OE1 GLU A 108 11.500 8.889 5.561 1.00 0.00 O ATOM 1689 OE2 GLU A 108 13.123 7.787 6.514 1.00 0.00 O ATOM 0 H GLU A 108 13.473 6.727 0.565 1.00 0.00 H new ATOM 0 HA GLU A 108 11.219 6.015 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.477 7.813 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.901 8.561 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.283 6.417 4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.015 6.170 4.576 1.00 0.00 H new ATOM 1696 N ILE A 109 9.790 7.490 0.929 1.00 0.00 N ATOM 1697 CA ILE A 109 8.879 8.128 -0.021 1.00 0.00 C ATOM 1698 C ILE A 109 7.585 8.534 0.695 1.00 0.00 C ATOM 1699 O ILE A 109 7.332 8.144 1.827 1.00 0.00 O ATOM 1700 CB ILE A 109 8.602 7.147 -1.188 1.00 0.00 C ATOM 1701 CG1 ILE A 109 7.976 5.830 -0.693 1.00 0.00 C ATOM 1702 CG2 ILE A 109 9.860 6.841 -2.017 1.00 0.00 C ATOM 1703 CD1 ILE A 109 6.461 5.851 -0.820 1.00 0.00 C ATOM 0 H ILE A 109 9.298 7.008 1.681 1.00 0.00 H new ATOM 0 HA ILE A 109 9.329 9.033 -0.430 1.00 0.00 H new ATOM 0 HB ILE A 109 7.888 7.656 -1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.379 4.996 -1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.253 5.663 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.607 6.149 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.248 7.766 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.618 6.391 -1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.053 4.906 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.057 6.670 -0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.185 5.992 -1.865 1.00 0.00 H new ATOM 1715 N ILE A 110 6.701 9.261 0.021 1.00 0.00 N ATOM 1716 CA ILE A 110 5.437 9.750 0.557 1.00 0.00 C ATOM 1717 C ILE A 110 4.270 9.244 -0.293 1.00 0.00 C ATOM 1718 O ILE A 110 4.131 9.623 -1.453 1.00 0.00 O ATOM 1719 CB ILE A 110 5.475 11.290 0.657 1.00 0.00 C ATOM 1720 CG1 ILE A 110 6.876 11.780 1.097 1.00 0.00 C ATOM 1721 CG2 ILE A 110 4.354 11.761 1.595 1.00 0.00 C ATOM 1722 CD1 ILE A 110 6.968 13.252 1.462 1.00 0.00 C ATOM 0 H ILE A 110 6.851 9.536 -0.950 1.00 0.00 H new ATOM 0 HA ILE A 110 5.286 9.361 1.564 1.00 0.00 H new ATOM 0 HB ILE A 110 5.297 11.732 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 110 7.195 11.190 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.582 11.578 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.375 12.848 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.390 11.443 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.500 11.326 2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.990 13.491 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.686 13.859 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.294 13.464 2.292 1.00 0.00 H new ATOM 1734 N VAL A 111 3.439 8.375 0.271 1.00 0.00 N ATOM 1735 CA VAL A 111 2.262 7.770 -0.344 1.00 0.00 C ATOM 1736 C VAL A 111 0.962 8.478 0.059 1.00 0.00 C ATOM 1737 O VAL A 111 0.717 8.667 1.250 1.00 0.00 O ATOM 1738 CB VAL A 111 2.120 6.328 0.178 1.00 0.00 C ATOM 1739 CG1 VAL A 111 0.998 5.595 -0.563 1.00 0.00 C ATOM 1740 CG2 VAL A 111 3.396 5.507 0.079 1.00 0.00 C ATOM 0 H VAL A 111 3.577 8.054 1.229 1.00 0.00 H new ATOM 0 HA VAL A 111 2.402 7.834 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 111 1.883 6.426 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.913 4.578 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.056 6.121 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.225 5.564 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.214 4.504 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.707 5.443 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.182 5.985 0.663 1.00 0.00 H new ATOM 1750 N GLU A 112 0.069 8.799 -0.879 1.00 0.00 N ATOM 1751 CA GLU A 112 -1.205 9.420 -0.510 1.00 0.00 C ATOM 1752 C GLU A 112 -2.256 8.320 -0.252 1.00 0.00 C ATOM 1753 O GLU A 112 -2.286 7.313 -0.973 1.00 0.00 O ATOM 1754 CB GLU A 112 -1.749 10.282 -1.642 1.00 0.00 C ATOM 1755 CG GLU A 112 -3.175 10.886 -1.427 1.00 0.00 C ATOM 1756 CD GLU A 112 -4.016 11.109 -2.693 1.00 0.00 C ATOM 1757 OE1 GLU A 112 -3.451 11.238 -3.804 1.00 0.00 O ATOM 1758 OE2 GLU A 112 -5.258 11.031 -2.594 1.00 0.00 O ATOM 0 H GLU A 112 0.199 8.644 -1.879 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.025 10.030 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.052 11.102 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.765 9.682 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.729 10.226 -0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.068 11.842 -0.914 1.00 0.00 H new ATOM 1765 N PHE A 113 -3.131 8.495 0.744 1.00 0.00 N ATOM 1766 CA PHE A 113 -4.220 7.584 1.044 1.00 0.00 C ATOM 1767 C PHE A 113 -5.427 8.399 1.470 1.00 0.00 C ATOM 1768 O PHE A 113 -5.294 9.305 2.288 1.00 0.00 O ATOM 1769 CB PHE A 113 -3.897 6.571 2.152 1.00 0.00 C ATOM 1770 CG PHE A 113 -4.695 5.271 2.133 1.00 0.00 C ATOM 1771 CD1 PHE A 113 -5.347 4.799 0.973 1.00 0.00 C ATOM 1772 CD2 PHE A 113 -4.699 4.460 3.283 1.00 0.00 C ATOM 1773 CE1 PHE A 113 -6.015 3.570 0.959 1.00 0.00 C ATOM 1774 CE2 PHE A 113 -5.335 3.208 3.259 1.00 0.00 C ATOM 1775 CZ PHE A 113 -6.019 2.772 2.111 1.00 0.00 C ATOM 0 H PHE A 113 -3.093 9.296 1.374 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.408 7.008 0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -2.837 6.323 2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.055 7.056 3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -5.330 5.400 0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.212 4.801 4.185 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.524 3.238 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -5.298 2.573 4.132 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.544 1.828 2.117 1.00 0.00 H new ATOM 1785 N ASN A 114 -6.603 8.056 0.941 1.00 0.00 N ATOM 1786 CA ASN A 114 -7.881 8.691 1.245 1.00 0.00 C ATOM 1787 C ASN A 114 -7.825 10.228 1.220 1.00 0.00 C ATOM 1788 O ASN A 114 -8.506 10.864 2.026 1.00 0.00 O ATOM 1789 CB ASN A 114 -8.430 8.146 2.582 1.00 0.00 C ATOM 1790 CG ASN A 114 -8.456 6.626 2.698 1.00 0.00 C ATOM 1791 OD1 ASN A 114 -7.887 6.054 3.617 1.00 0.00 O ATOM 1792 ND2 ASN A 114 -9.139 5.907 1.821 1.00 0.00 N ATOM 0 H ASN A 114 -6.692 7.299 0.263 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.575 8.428 0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.826 8.547 3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.443 8.523 2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.184 4.893 1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.620 6.367 1.048 1.00 0.00 H new ATOM 1799 N ARG A 115 -7.032 10.813 0.308 1.00 0.00 N ATOM 1800 CA ARG A 115 -6.836 12.253 0.085 1.00 0.00 C ATOM 1801 C ARG A 115 -5.826 12.918 1.016 1.00 0.00 C ATOM 1802 O ARG A 115 -5.774 14.146 1.040 1.00 0.00 O ATOM 1803 CB ARG A 115 -8.167 13.035 -0.005 1.00 0.00 C ATOM 1804 CG ARG A 115 -9.182 12.423 -0.985 1.00 0.00 C ATOM 1805 CD ARG A 115 -8.620 12.237 -2.405 1.00 0.00 C ATOM 1806 NE ARG A 115 -8.101 13.488 -2.986 1.00 0.00 N ATOM 1807 CZ ARG A 115 -8.846 14.493 -3.458 1.00 0.00 C ATOM 1808 NH1 ARG A 115 -10.169 14.468 -3.338 1.00 0.00 N ATOM 1809 NH2 ARG A 115 -8.266 15.521 -4.057 1.00 0.00 N ATOM 0 H ARG A 115 -6.473 10.254 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.371 12.306 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.617 13.083 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.955 14.060 -0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.509 11.457 -0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.063 13.063 -1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.821 11.496 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -9.403 11.840 -3.051 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.088 13.596 -3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.625 13.677 -2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -10.729 15.239 -3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.251 15.546 -4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -8.834 16.288 -4.417 1.00 0.00 H new ATOM 1823 N GLU A 116 -4.978 12.176 1.723 1.00 0.00 N ATOM 1824 CA GLU A 116 -3.978 12.744 2.611 1.00 0.00 C ATOM 1825 C GLU A 116 -2.633 12.112 2.300 1.00 0.00 C ATOM 1826 O GLU A 116 -2.569 10.959 1.883 1.00 0.00 O ATOM 1827 CB GLU A 116 -4.400 12.565 4.076 1.00 0.00 C ATOM 1828 CG GLU A 116 -5.254 13.739 4.578 1.00 0.00 C ATOM 1829 CD GLU A 116 -4.542 15.101 4.590 1.00 0.00 C ATOM 1830 OE1 GLU A 116 -3.399 15.267 4.099 1.00 0.00 O ATOM 1831 OE2 GLU A 116 -5.119 16.063 5.144 1.00 0.00 O ATOM 0 H GLU A 116 -4.969 11.156 1.693 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.888 13.818 2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.963 11.637 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.511 12.471 4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.143 13.816 3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.595 13.515 5.589 1.00 0.00 H new ATOM 1838 N TYR A 117 -1.548 12.864 2.465 1.00 0.00 N ATOM 1839 CA TYR A 117 -0.193 12.394 2.173 1.00 0.00 C ATOM 1840 C TYR A 117 0.412 11.754 3.420 1.00 0.00 C ATOM 1841 O TYR A 117 0.441 12.370 4.483 1.00 0.00 O ATOM 1842 CB TYR A 117 0.674 13.546 1.629 1.00 0.00 C ATOM 1843 CG TYR A 117 0.253 14.192 0.304 1.00 0.00 C ATOM 1844 CD1 TYR A 117 -0.898 13.788 -0.407 1.00 0.00 C ATOM 1845 CD2 TYR A 117 1.035 15.238 -0.221 1.00 0.00 C ATOM 1846 CE1 TYR A 117 -1.301 14.456 -1.576 1.00 0.00 C ATOM 1847 CE2 TYR A 117 0.646 15.899 -1.404 1.00 0.00 C ATOM 1848 CZ TYR A 117 -0.541 15.533 -2.072 1.00 0.00 C ATOM 1849 OH TYR A 117 -0.979 16.212 -3.165 1.00 0.00 O ATOM 0 H TYR A 117 -1.583 13.824 2.808 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.232 11.632 1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.707 14.328 2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.691 13.173 1.512 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -1.478 12.952 -0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.940 15.537 0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -2.195 14.143 -2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 117 1.262 16.692 -1.802 1.00 0.00 H new ATOM 0 HH TYR A 117 -0.345 16.927 -3.382 1.00 0.00 H new ATOM 1859 N TYR A 118 0.958 10.544 3.285 1.00 0.00 N ATOM 1860 CA TYR A 118 1.566 9.782 4.370 1.00 0.00 C ATOM 1861 C TYR A 118 2.996 9.400 4.046 1.00 0.00 C ATOM 1862 O TYR A 118 3.310 8.945 2.951 1.00 0.00 O ATOM 1863 CB TYR A 118 0.774 8.509 4.662 1.00 0.00 C ATOM 1864 CG TYR A 118 -0.581 8.793 5.259 1.00 0.00 C ATOM 1865 CD1 TYR A 118 -1.687 9.054 4.431 1.00 0.00 C ATOM 1866 CD2 TYR A 118 -0.703 8.901 6.652 1.00 0.00 C ATOM 1867 CE1 TYR A 118 -2.919 9.436 4.991 1.00 0.00 C ATOM 1868 CE2 TYR A 118 -1.935 9.246 7.229 1.00 0.00 C ATOM 1869 CZ TYR A 118 -3.045 9.530 6.402 1.00 0.00 C ATOM 1870 OH TYR A 118 -4.183 9.957 7.010 1.00 0.00 O ATOM 0 H TYR A 118 0.989 10.056 2.390 1.00 0.00 H new ATOM 0 HA TYR A 118 1.556 10.427 5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 118 0.649 7.944 3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 118 1.344 7.880 5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -1.590 8.961 3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 118 0.154 8.718 7.283 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.762 9.656 4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -2.034 9.294 8.303 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.059 9.945 7.982 1.00 0.00 H new ATOM 1880 N ARG A 119 3.883 9.622 5.001 1.00 0.00 N ATOM 1881 CA ARG A 119 5.292 9.313 4.886 1.00 0.00 C ATOM 1882 C ARG A 119 5.457 7.801 5.000 1.00 0.00 C ATOM 1883 O ARG A 119 4.817 7.213 5.874 1.00 0.00 O ATOM 1884 CB ARG A 119 6.001 10.056 6.022 1.00 0.00 C ATOM 1885 CG ARG A 119 7.464 10.320 5.694 1.00 0.00 C ATOM 1886 CD ARG A 119 8.415 9.396 6.470 1.00 0.00 C ATOM 1887 NE ARG A 119 8.488 9.642 7.926 1.00 0.00 N ATOM 1888 CZ ARG A 119 9.503 9.226 8.700 1.00 0.00 C ATOM 1889 NH1 ARG A 119 10.575 8.647 8.180 1.00 0.00 N ATOM 1890 NH2 ARG A 119 9.435 9.371 10.014 1.00 0.00 N ATOM 0 H ARG A 119 3.633 10.033 5.900 1.00 0.00 H new ATOM 0 HA ARG A 119 5.720 9.624 3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.494 11.002 6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.933 9.470 6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.624 10.185 4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.703 11.358 5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 119 8.105 8.364 6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.416 9.497 6.051 1.00 0.00 H new ATOM 0 HE ARG A 119 7.725 10.156 8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.642 8.509 7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.334 8.339 8.788 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.612 9.799 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.206 9.055 10.603 1.00 0.00 H new ATOM 1904 N ALA A 120 6.303 7.176 4.183 1.00 0.00 N ATOM 1905 CA ALA A 120 6.526 5.725 4.209 1.00 0.00 C ATOM 1906 C ALA A 120 8.018 5.368 4.105 1.00 0.00 C ATOM 1907 O ALA A 120 8.793 6.117 3.508 1.00 0.00 O ATOM 1908 CB ALA A 120 5.738 5.073 3.068 1.00 0.00 C ATOM 0 H ALA A 120 6.858 7.662 3.479 1.00 0.00 H new ATOM 0 HA ALA A 120 6.175 5.343 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.900 3.995 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.676 5.282 3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.077 5.478 2.114 1.00 0.00 H new ATOM 1914 N VAL A 121 8.422 4.207 4.627 1.00 0.00 N ATOM 1915 CA VAL A 121 9.812 3.736 4.607 1.00 0.00 C ATOM 1916 C VAL A 121 9.883 2.375 3.943 1.00 0.00 C ATOM 1917 O VAL A 121 9.006 1.538 4.163 1.00 0.00 O ATOM 1918 CB VAL A 121 10.375 3.539 6.032 1.00 0.00 C ATOM 1919 CG1 VAL A 121 11.898 3.379 6.036 1.00 0.00 C ATOM 1920 CG2 VAL A 121 10.055 4.596 7.060 1.00 0.00 C ATOM 0 H VAL A 121 7.783 3.556 5.083 1.00 0.00 H new ATOM 0 HA VAL A 121 10.387 4.492 4.072 1.00 0.00 H new ATOM 0 HB VAL A 121 9.851 2.631 6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 121 12.247 3.243 7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.174 2.509 5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 121 12.359 4.271 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.513 4.328 8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.445 5.558 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.974 4.667 7.185 1.00 0.00 H new ATOM 1930 N LEU A 122 10.946 2.131 3.178 1.00 0.00 N ATOM 1931 CA LEU A 122 11.198 0.871 2.506 1.00 0.00 C ATOM 1932 C LEU A 122 11.406 -0.116 3.645 1.00 0.00 C ATOM 1933 O LEU A 122 12.363 0.011 4.405 1.00 0.00 O ATOM 1934 CB LEU A 122 12.401 1.019 1.569 1.00 0.00 C ATOM 1935 CG LEU A 122 12.759 -0.306 0.884 1.00 0.00 C ATOM 1936 CD1 LEU A 122 11.574 -0.928 0.138 1.00 0.00 C ATOM 1937 CD2 LEU A 122 13.899 -0.067 -0.108 1.00 0.00 C ATOM 0 H LEU A 122 11.671 2.828 3.008 1.00 0.00 H new ATOM 0 HA LEU A 122 10.391 0.529 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.181 1.771 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 122 13.260 1.379 2.135 1.00 0.00 H new ATOM 0 HG LEU A 122 13.056 -1.004 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.887 -1.863 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.765 -1.125 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.226 -0.239 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.158 -1.006 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.583 0.659 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.770 0.317 0.424 1.00 0.00 H new ATOM 1949 N ILE A 123 10.498 -1.073 3.789 1.00 0.00 N ATOM 1950 CA ILE A 123 10.554 -2.022 4.886 1.00 0.00 C ATOM 1951 C ILE A 123 11.781 -2.913 4.786 1.00 0.00 C ATOM 1952 O ILE A 123 12.490 -3.139 5.757 1.00 0.00 O ATOM 1953 CB ILE A 123 9.272 -2.892 4.823 1.00 0.00 C ATOM 1954 CG1 ILE A 123 8.077 -2.052 5.264 1.00 0.00 C ATOM 1955 CG2 ILE A 123 9.330 -4.149 5.708 1.00 0.00 C ATOM 1956 CD1 ILE A 123 6.749 -2.506 4.667 1.00 0.00 C ATOM 0 H ILE A 123 9.711 -1.210 3.154 1.00 0.00 H new ATOM 0 HA ILE A 123 10.617 -1.481 5.830 1.00 0.00 H new ATOM 0 HB ILE A 123 9.179 -3.228 3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.005 -2.083 6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.253 -1.013 4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.398 -4.706 5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.163 -4.778 5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.470 -3.855 6.748 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.948 -1.860 5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.800 -2.448 3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.548 -3.535 4.967 1.00 0.00 H new